Month: February 2023

para-Selective Arylation of Arenes: A Direct Route to Biaryls by Norbornene Relay Palladation was written by Dutta, Uttam;Porey, Sandip;Pimparkar, Sandeep;Mandal, Astam;Grover, Jagrit;Koodan, Adithyaraj;Maiti, Debabrata. And the article was included in Angewandte Chemie, International Edition in 2020.Electric Literature of C7H5ClF2 This article mentions the following:

Biaryl compounds are extremely important structural motifs in natural products, biol. active components and pharmaceuticals. Selective synthesis of biaryls by distinguishing the subtle reactivity difference of distal arene C-H bonds are significantly challenging. Herein, we describe para-selective C-H arylation, which is acheived by a unique combination of a meta-directing group and norbornene as a transient mediator. Upon direct meta-C-H palladation, one-bond relay palladation occurs in presence of norbornene and subsequently para-C-H arylation is achieved for sulfonates, phosphonates and phenols bearing 2,6-disubstitution patterns. The protocol is amenable to electron-deficient aryl iodides. Multisubstituted arenes and phenols are obtained by postsynthetic modification of the products. The protocol allows the synthesis of hexa-substituted benzene by sequential selective distal C-H functionalization. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Electric Literature of C7H5ClF2).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Electric Literature of C7H5ClF2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Evaluation and comparison of in vitro intrinsic clearance rates measured using cryopreserved hepatocytes from humans, rats, and rainbow trout was written by Black, Sherry R.;Nichols, John W.;Fay, Kellie A.;Matten, Sharlene R.;Lynn, Scott G.. And the article was included in Toxicology in 2021.HPLC of Formula: 101-20-2 This article mentions the following:

In vitro and in silico methods that can reduce the need for animal testing are being used with increasing frequency to assess chem. risks to human health and the environment. The rate of hepatic biotransformation is an important species-specific parameter for determining bioaccumulation potential and extrapolating in vitro bioactivity to in vivo effects. One approach to estimating hepatic biotransformation is to employ in vitro systems derived from liver tissue to measure chem. (substrate) depletion over time which can then be translated to a rate of intrinsic clearance (CLint). In the present study, cryopreserved hepatocytes from humans, rats, and rainbow trout were used to measure CLint values for 54 industrial and pesticidal chems. at starting test concentrations of 0.1 and 1 渭M. A data evaluation framework that emphasizes the behavior of Heat-Treated Controls (HTC) was developed to identify datasets suitable for rate reporting. Measured or estimated (“greater than” or “less than”) CLint values were determined for 124 of 226 (55 %) species-chem.-substrate concentration datasets with acceptable anal. chem. A large percentage of tested chems. exhibited low HTC recovery values, indicating a substantial abiotic loss of test chem. over time. An evaluation of KOW values for individual chems. suggested that in vitro test performance declined with increasing chem. hydrophobicity, although differences in testing devices for mammals and fish also likely played a role. The current findings emphasize the value of neg. controls as part of a rigorous approach to data quality assessment for in vitro substrate depletion studies. Changes in current testing protocols can be expected to result in the collection of higher quality data. However, poorly soluble chems. are likely to remain a challenge for CLint determination In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2HPLC of Formula: 101-20-2).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.HPLC of Formula: 101-20-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches was written by Villemagne, Baptiste;Flipo, Marion;Blondiaux, Nicolas;Crauste, Celine;Malaquin, Sandra;Leroux, Florence;Piveteau, Catherine;Villeret, Vincent;Brodin, Priscille;Villoutreix, Bruno O.;Sperandio, Olivier;Soror, Sameh H.;Wohlkonig, Alexandre;Wintjens, Rene;Deprez, Benoit;Baulard, Alain R.;Willand, Nicolas. And the article was included in Journal of Medicinal Chemistry in 2014.Synthetic Route of C10H13ClO3S This article mentions the following:

Tuberculosis remains a major cause of mortality and morbidity, killing each year more than one million people. Although the combined use of first line antibiotics (isoniazid, rifampicin, pyrazinamide, and ethambutol) is efficient to treat most patients, the rapid emergence of multidrug resistant strains of Mycobacterium tuberculosis stresses the need for alternative therapies. Mycobacterial transcriptional repressor EthR is a key player in the control of second-line drugs bioactivation such as ethionamide and has been shown to impair the sensitivity of the human pathogen Mycobacterium tuberculosis to this antibiotic. As a way to identify new potent ligands of this protein, we have developed fragment-based approaches. In the current study, we combined surface plasmon resonance assay, x-ray crystallog., and ligand efficiency driven design for the rapid discovery and optimization of new chemotypes of EthR ligands starting from a fragment. The design, synthesis, and in vitro and ex vivo activities of these compounds will be discussed. In the experiment, the researchers used many compounds, for example, 4-Butoxybenzene-1-sulfonyl chloride (cas: 1138-56-3Synthetic Route of C10H13ClO3S).

4-Butoxybenzene-1-sulfonyl chloride (cas: 1138-56-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Synthetic Route of C10H13ClO3S

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Asymmetric synthesis of dihydroquinazolinones via directed ortho metalation and addition to tert-butanesulfinyl imines was written by Rajapakse, Hemaka A.;Young, Mary Beth;Zhu, Hong;Charlton, Samantha;Tsou, Nancy N.. And the article was included in Tetrahedron Letters in 2005.Electric Literature of C11H14ClNO2 This article mentions the following:

An asym. route to dihydroquinazolinones via the addition of ortho metalated substrates to tert-butanesulfinyl imines is reported. The scope of the nucleophile and electrophile components and the absolute stereochem. outcome are presented. This method was applied to the asym. synthesis of (+)-3,4-dihydro-4-phenyl-3-[1-(phenylmethyl)-4-piperidinyl]-2(1H)-quinazolinone [i.e., (+)-SM-154811 hydrochloride]. In the experiment, the researchers used many compounds, for example, tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6Electric Literature of C11H14ClNO2).

tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Electric Literature of C11H14ClNO2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Application of Fenton process to remove organic matter and PCBs from waste (fuller’s earth) contaminated with insulating oil was written by Apolinario da Silva, Milady Renata;Rodrigues, Eduardo de Oliveira;Espanhol-Soares, Melina;Silva, Flavio Soares;Kondo, Marcia Matiko;Gimenes, Rossano. And the article was included in Environmental Technology in 2019.Related Products of 3386-33-2 This article mentions the following:

Polychlorinated biphenyls (PCBs) are carcinogenic to humans and can be found in fuller’s earth used for the treatment of used transformer oil. This work describes an optimization of the Fenton process for the removal of contaminants from fuller’s earth. The effects of pH (2.5 and 4.0), [H₂O₂] (1.47 and 2.07 mol L^-1), and [Fe²⁺] (1.7 and 40 mmol L^-1) were studied. The Fenton process efficiency was monitored using the decreases in the COD (COD) and the concentrations of oil and grease, total carbon (TC), PCBs, and H₂O₂. The fuller’s earth contaminated with insulating oil presented 35% (weight/weight) of TC, 34% (weight/weight) of oil and grease, 297.0 g L^-1 COD, and 64 mg of PCBs per kg. The material could therefore be considered a dangerous waste. After Fenton treatment, using a slurry mode, there was a removal of 55% of COD, 20% of oil and grease, and 20% of TC, achieved at pH 2.5 using 2.07 mol L^-1 of H₂O₂ and 40.0 mmol L^-1 of Fe²⁺. No PCBs were detected in the samples after the Fenton treatment, even using smaller amounts of Fenton reagents (1.47 mol L^-1 of H₂O₂, 1.7 mmol L^-1 of Fe²⁺, pH 2.5). The results indicated that the treated fuller’s earth was free from PCB residues and could be disposed of in a simple landfill, in accordance with Brazilian PCB regulations. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Related Products of 3386-33-2).

1-Chlorooctadecane (cas: 3386-33-2) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Related Products of 3386-33-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Constructing positively charged acid-resistant nanofiltration membranes via surface postgrafting for efficient removal of metal ions from electroplating rinse wastewater was written by Bai, Yong;Gao, Peng;Fang, Rong;Cai, Jing;Zhang, Li-Dan;He, Qin-Yuan;Zhou, Zi-Hao;Sun, Shi-Peng;Cao, Xue-Li. And the article was included in Separation and Purification Technology in 2022.Application In Synthesis of Trimesoylchloride This article mentions the following:

To efficiently recycle metal ions from electroplating wastewater, a pos. charged acid-resistant nanofiltration membrane was prepared by coupling interfacial polymerization and postgrafting modification with an ethanol grafting solution containing N-(3-aminopropyl)-imidazole (ANPI). Ethanol, as the grafting solvent, not only slightly swelled the original polyamide (PA) layer but also is mutually miscible with n-hexane, which prevented the formation of addnl. PA layers. ANPI, as the grafting monomer, was covalently bound to the -COCl groups of the PA layer to guarantee grafting stability. Due to the inhibited hydrolysis of the -COCl group by ethanol, more ANPI was grafted on the PA layer, which could be easily protonated under low pH. This resulted in a looser, thinner and pos. charged selectivity layer. The membrane permeability was improved by 56.0 卤 0.55% with high interception performance (> 98% for Cu²⁺ and Ni²⁺ ions) in electroplating rinse wastewater. The formed pos. protective layer prevented H+ ions from attacking the -CO-NH- bonds, resulting in strong stability after immersion in 10 wt% H₂SO₄ and H₃PO₄. Therefore, the obtained membrane shows promise for application in highly acidic wastewater. In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1Application In Synthesis of Trimesoylchloride).

Trimesoylchloride (cas: 4422-95-1) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Application In Synthesis of Trimesoylchloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Electrochemical Synthesis of Quinazolinones by the Metal-Free and Acceptor-Free Dehydrogenation of 2-Aminobenzamides was written by Yao, Yan;Meng, Xiu-Jin;Teng, Qing-Hu;Chen, Yan-Yan. And the article was included in Synlett in 2020.Product Details of 620-19-9 This article mentions the following:

An efficient approach has been developed for the construction of quinazolin-4(3H)-ones by the selective anodic dehydrogenative oxidation/cyclization of benzylic chlorides and 2-aminobenzamides [e.g., 2-aminobenzamide + benzyl chloride 鈫?2-phenylquinazolin-4(3H)-one I (80%) employing RVC as anode, Pt as cathode, Bu₄NBF₄ as electrolyte and MeCN as solvent in undivided cell at constant current of 10mA at 80掳]. The method features acceptor-free and metal-free dehydrogenation of amines to imines; a subsequent intermol. addition provides the products in moderate to good yields. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Product Details of 620-19-9).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Product Details of 620-19-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Discovery of a Thieno[2,3-d]pyrimidine-2,4-dione Bearing a p-Methoxyureidophenyl Moiety at the 6-Position: A Highly Potent and Orally Bioavailable Non-Peptide Antagonist for the Human Luteinizing Hormone-Releasing Hormone Receptor was written by Sasaki, Satoshi;Cho, Nobuo;Nara, Yoshi;Harada, Masataka;Endo, Satoshi;Suzuki, Nobuhiro;Furuya, Shuichi;Fujino, Masahiko. And the article was included in Journal of Medicinal Chemistry in 2003.Computed Properties of C7H5ClF2 This article mentions the following:

We have previously disclosed the first potent and orally effective non-peptide antagonist for the human LH-releasing hormone (LHRH) receptor, a thieno[2,3-b]pyridin-4-one derivative, T-98475. Extensive research on developing non-peptide LHRH antagonists has been carried out by employing a strategy of replacing the thienopyridin-4-one nucleus with other heterocyclic surrogates. We describe herein the design and synthesis of a series of thieno[2,3-d]pyrimidine-2,4-dione derivatives containing a biaryl moiety, which led to the discovery of a highly potent and orally active non-peptide LHRH antagonist, 5-(N-benzyl-N-methylaminomethyl)-1-(2,6-difluorobenzyl)-6-[4-(3-methoxyureido)phenyl]-3-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione (I: TAK-013). Compound I showed high binding affinity and potent in vitro antagonistic activity for the human receptor with half-maximal inhibition concentration (IC₅₀) values of 0.1 and 0.06 nM, resp. Oral administration of I caused almost complete suppression of the plasma LH levels in castrated male cynomolgus monkeys at a 30 mg/kg dose with sufficient duration of action (more than 24 h). The results demonstrated that the thienopyrimidine-2,4-dione core is an excellent surrogate for the thienopyridin-4-one and that thienopyrimidine-2,4-diones and thienopyridin-4-ones constitute a new class of potent and orally bioavailable LHRH receptor antagonists. Furthermore, mol. modeling studies indicate that the unique methoxyurea side chain of I preferentially forms an intramol. hydrogen bond between the aniline NH and the methoxy oxygen atom. The hydrogen bond will shield the hydrogen bonding moieties from the solvent and reduce the desolvation energy cost. It is therefore speculated that the intramol. hydrogen bond resulting from judicious incorporation of an oxygen atom into the terminal alkyl group of the urea may increase the apparent lipophilicity to allow increased membrane permeability and consequently to improve the oral absorption of I in monkeys. On the basis of its profile, compound I has been selected as a candidate for clin. trials and it is expected that it will provide a new class of potential therapeutic agents for the clin. treatment of a variety of sex-hormone-dependent diseases. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Computed Properties of C7H5ClF2).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Computed Properties of C7H5ClF2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

A Four-Component Reaction Strategy for Pyrimidine Carboxamide Synthesis was written by Guo, Wei;Liao, Jianhua;Liu, Dongqing;Li, Jiawei;Ji, Fanghua;Wu, Wanqing;Jiang, Huanfeng. And the article was included in Angewandte Chemie, International Edition in 2017.Name: 2-Chloro-benzamidine hydrochloride This article mentions the following:

Demonstrated herein is a highly effective 3 starting materials and 4 component reaction (3SM-4CR) strategy for the synthesis of pyrimidinecarboxamides from amidines, styrenes, and N,N-dimethylformamide (DMF) by a palladium-catalyzed oxidative process. This transformation represents the first example of employing DMF as a dual synthon, a one-carbon-atom synthon and amide synthon, and was proven by isotope-labeling experiments Addnl., the combination of C-H bond functionalization and cross-dehydrogenative coupling processes affords four chem. bond formations. This sequential 3SM-4CR strategy features inexpensive, readily available starting materials, green oxidants, as well as atom and step economy. It leads to the preparation of pyrimidine carboxamides and has potential applications in the pharmaceutical industry. In the experiment, the researchers used many compounds, for example, 2-Chloro-benzamidine hydrochloride (cas: 18637-02-0Name: 2-Chloro-benzamidine hydrochloride).

2-Chloro-benzamidine hydrochloride (cas: 18637-02-0) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Name: 2-Chloro-benzamidine hydrochloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Trichlorocarban induces developmental and immune toxicity to zebrafish (Danio rerio) by targeting TLR4/MyD88/NF-魏B signaling pathway was written by Xu, Jiaqi;Qian, Qiuhui;Xia, Min;Wang, Xuedong;Wang, Huili. And the article was included in Environmental Pollution (Oxford, United Kingdom) in 2021.Recommanded Product: 101-20-2 This article mentions the following:

Trichlorocarban (TCC) is ubiquitously detected in environmental matrixes, while there is a paucity of information regarding its systemic toxicity. In the present study, we observed that TCC exposure led to high embryo mortality, delayed hatching and yolk absorption, as well as increased malformations, such as closure of swim sac and yolk sac edema. Meanwhile, TCC affected the formation and branch of subintestinal veins (SIVs), intersegmental vessels and posterior cardinal veins. Especially, the SIVs were shrunk, and their branches were reduced or even broken along with reduced coverage area. TCC-induced oxidative stress and excessive apoptosis resulted from abnormal expression of the anti/pro-apoptotic genes. Significant reduction in the number and aggregation function of immune cells proved that TCC had prominent immunotoxicity to zebrafish. TCC-targeted TLR4 signaling pathway was demonstrated by abnormal expression of the marker genes (tlr4, MyD88 and nf-魏b) and release of the downstream inflammatory factors (TNF-伪, IL-6, etc.). Inhibition of TLR4/MyD88/NF-魏B pathway by an inhibitor (CA-4948) rescued the decreasing trend of the immune cells induced by TCC. Mol. docking results demonstrated that TCC could stably bind to TLR4 receptor to form hydrogen bonds and hydrophobic interactions with amino acids. Overall, these findings reveal the underlying mol. mechanisms on TCC-induced developmental and immune toxicity to zebrafish. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Recommanded Product: 101-20-2).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: 101-20-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics