Tag: 100-200

《Design of biphenyl-substituted diarylpyrimidines with a cyanomethyl linker as HIV-1 NNRTIs via a molecular hybridization strategy》 was published in Molecules in 2020. These research results belong to Lei, Yuan; Han, Sheng; Yang, Yang; Pannecouque, Christophe; De Clercq, Erik; Zhuang, Chunlin; Chen, Fen-Er. SDS of cas: 768-35-4 The article mentions the following:

A series of biphenyl-substituted diarylpyrimidines I (R1 = H, 2-F, 3-F; R2 = H, 2′-Me, 3′-MeO, 4′-F, etc.) with a cyanomethyl linker were designed using a mol. hybridization strategy. The cell-based anti-HIV assay showed that most of the compounds exhibit moderate to good activities against wild-type HIV-1 and clin. relevant mutant strains with a more favorable toxicity, and the enzymic assay showed they have nanomolar activity against reverse transcriptase (RT). Compound I (R1 = 3-F; R2 = 4′-CN) exhibited the best activity against wild-type HIV-1 with an EC50 (50% HIV-1 replication inhibitory concentration) value of 0.027μM, an acceptable CC50 (50% cytotoxic concentration) value of 36.4μM, and selectivity index of 1361, with moderate activities against the single mutants (EC50: E138K, 0.17μM; Y181C, 0.87μM; K103N, 0.9μM; L100I, 1.21μM, resp.), and an IC50 value of 0.059μM against the RT enzyme, which was six-fold higher than nevirapine. The preliminary structure-activity relationship of these new compounds has been established. The mol. modeling predicted the binding modes of the new compounds with RT, providing mol. insight for further drug design. In the part of experimental materials, we found many familiar compounds, such as (3-Fluorophenyl)boronic acid(cas: 768-35-4SDS of cas: 768-35-4)

(3-Fluorophenyl)boronic acid(cas: 768-35-4) can be used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.SDS of cas: 768-35-4

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

Liu, Jianbo; Parker, Matthew F. L.; Wang, Sinan; Flavell, Robert R.; Toste, F. Dean; Wilson, David M. published their research in Chem on August 12 ,2021. The article was titled 《Synthesis of N-trifluoromethyl amides from carboxylic acids》.Computed Properties of C6H4ClNO2 The article contains the following contents:

Here, the synthesis of N-trifluoromethyl amides R1C(O)NCF3(R2) [R1 = Et, cyclohexyl, CH2CH2Ph, etc.; R2 = Me, allyl, CH2CH2Ph, etc.] from carboxylic acid halides and esters under mild conditions via isothiocyanates in the presence of silver fluoride at room temperature was reported. Through this strategy, isothiocyanates were desulfurized with AgF, and then the formed derivative was acylated to afford N-trifluoromethyl amides, including previously inaccessible structures. This method showed broad scope, provides a platform for rapidly generating N-trifluoromethyl amides by virtue of the diversity and availability of both reaction partners and should find application in the modification of advanced intermediates. After reading the article, we found that the author used 2-Chloroisonicotinic acid(cas: 6313-54-8Computed Properties of C6H4ClNO2)

2-Chloroisonicotinic acid(cas: 6313-54-8) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.Computed Properties of C6H4ClNO2

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

《A high-performance liquid chromatography-tandem mass spectrometry method for the quantitative determination of four genotoxic impurities in gefitinib》 was published in Sepu in 2019. These research results belong to Sun, Chunyan; Ji, Yinghe; Qin, Kunming; Gao, Xun; Zhao, Longshan. COA of Formula: C6H3ClFNO2 The article mentions the following:

In this work, a method for the determination of the amounts of the four genotoxic impurities in gefitinib has been developed. A simple and sensitive high-performance liquid chromatog.-tandem mass spectrometry (HPLC-MS/MS) approach has been developed, optimized, and validated. The genotoxic impurities were 3-chloro-4-fluoroaniline, 3,4-difluoroaniline, 3-fluoro-4-chloroaniline,and 3,4-dichloroaniline. Separation was achieved on an Inertsil ODS-3 column (100 mm×3.0 mm, 3 μm). The column temperature was 40°C, and the running time was 12 min. A triple quadrupole mass detector with pos. electrospray ionization in the multiple reaction monitoring (MRM) mode was applied. The method was validated in terms of its specificity, linearity, precision, accuracy, stability, and robustness. The correlation coefficient of each impurity was higher than 0.999 in the range of 0.6-96.0 μg/L. The limits of detection (LODs) and limits of quantity (LOQs) were in the ranges of 0.2-2.0 μg/L and 0.6-6.0 μg/L, resp. The recoveries of all impurities at 6, 30, and 60 μg/L were within 91.0%-98.5%. All impurities were stable within 2 h. After detection, only 3-chloro-4-fluoroaniline was detected in the batch number 16052301 and R16052501-1 gefitinib samples, but its concentration was below the impurity limit (6 mg/L). This method is simple, reliable, and suitable for the determination of four genotoxic impurities in gefitinib. It can be further applied as a reference for quality control. The experimental part of the paper was very detailed, including the reaction process of 3-Chloro-4-fluoronitrobenzene(cas: 350-30-1COA of Formula: C6H3ClFNO2)

3-Chloro-4-fluoronitrobenzene(cas: 350-30-1) belongs to organochlorine compounds. Many organochlorine compounds have been isolated from natural sources ranging from bacteria to humans. COA of Formula: C6H3ClFNO2 Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.

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

Related Products of 5781-53-3In 2021 ,《Zn-Mediated Hydrodeoxygenation of Tertiary Alkyl Oxalates》 was published in Synlett. The article was written by Ye, Yang; Ma, Guobin; Yao, Ken; Gong, Hegui. The article contains the following contents:

A general, mild, and scalable method for hydrodeoxygenation of readily accessible tertiary alkyl oxalates by Zn/silane under Ni-catalyzed conditions was described. The reduction method was suitable for an array of structural motifs derived from tertiary alcs. that beared diverse functional groups, included the synthesis of a key intermediate en route to estrone. After reading the article, we found that the author used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Related Products of 5781-53-3)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Related Products of 5781-53-3

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

《Synthesis and in vitro antibacterial activity of quaternized 10-methoxycanthin-6-one derivatives》 was published in Molecules in 2019. These research results belong to Li, Na; Liu, Dan; Dai, Jiang-Kun; Wang, Jin-Yi; Wang, Jun-Ru. Reference of 3-Chlorobenzylchloride The article mentions the following:

Background: Based on our previous work, we found that 10-methoxycanthin-6-one displayed potential antibacterial activity and quaternization was an available method for increasing the antibacterial activity. Here, we explored the antibacterial activity of quaternized 10-methoxy canthin-6-one derivatives Methods and Results: Twenty-two new 3-N-benzylated 10-methoxy canthin-6-ones were designed and synthesized through quaternization reaction. The in vitro antibacterial activity against three bacteria was evaluated by the double dilution method. Moreover, the structure-activity relationships (SARs) were carefully summarized in order to guide the development of antibacterial canthin-6-one agents. Two highly active compounds displayed 8-fold superiority (MIC = 3.91 μg/mL) against agricultural pathogenic bacteria R. solanacearum and P. syringae compared to agrochem. streptomycin sulfate, and showed potential activity against B. cereus. Moreover, these two compounds exhibited good “”drug-like”” properties, low cytotoxicity, and no inhibition on seed germination. Conclusions: This work provides two new effective quaternized canthin-6-one derivatives as candidate bactericide, promoting the development of natural-sourced bactericides and preservatives. In the experiment, the researchers used many compounds, for example, 3-Chlorobenzylchloride(cas: 620-20-2Reference of 3-Chlorobenzylchloride)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Reference of 3-Chlorobenzylchloride

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

Pudnika, Linda; Domraceva, Ilona; Werner, Thomas; Zalubovskis, Raivis; Grandane, Aiga published their research in Synthesis in 2021. The article was titled 《Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones》.Synthetic Route of C6H6BFO2 The article contains the following contents:

A short and efficient synthetic route towards benzoxepine containing scaffold, which enables late stage modification was developed. Namely, base-free catalytic Wittig reactions enabled the synthesis of bromobenzoxepinones from readily available starting materials. Subsequent, Suzuki-Miyaura and Stille reactions proved to be suitable methods to access a variety of benzoxepinone diaryl derivatives by late stage modification in only three steps. This three-step reaction sequence was suitable for high throughput applications and gives facile access to highly complex mol. structures, which are suitable for further functionalization. The antiproliferative properties of selected arylbenzoxepinones were tested in-vitro on monolayer tumor cell line A549. Notably, in this initial screening, these compounds were found to be active in the micromolar range. The experimental process involved the reaction of (3-Fluorophenyl)boronic acid(cas: 768-35-4Synthetic Route of C6H6BFO2)

(3-Fluorophenyl)boronic acid(cas: 768-35-4) can be used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.Synthetic Route of C6H6BFO2

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

The author of 《Synthesis of two heterogeneous Pd catalysts based on nano silica and MCM-41 and their application in Suzuki reaction》 were Cao, Meng; Wang, Zhenxi; Zhang, Jian; Xu, Sheng; Zhang, Shangxi; Liu, Yang; Dai, Xin; Jiang, Xinde; Wu, Jinhui. And the article was published in Huaxue Tongbao in 2019. Application of 768-35-4 The author mentioned the following in the article:

Palladium compounds containing diphosphine ligand with N atom were immobilized on the surface of nano silica and MCM-41 resp. The resulting two novel heterogeneous Pd catalysts SiO2@ PNPPdCl2 (1) and MCM-41@ PNPPdCl2 (2) were fully characterized by SEM (EDX), TEM (SAED), XRD, FT-IR, ICP-Ms and TGA. Microstructure tests showed that the two kinds of nanoparticles have completely different structures, 1 has an irregular sphere structure and 2 has a honeycomb structure. The catalytic performance of nanoparticles 1 and 2 under mild conditions with EtOH/H2O (volume/volume=3/2) as solvent in Suzuki coupling reaction was further studied. The two catalysts had good group tolerance, and their average yields in four cycles were 81% (1) and 89% (2) resp. Their catalytic properties are also slightly different. The catalytic rate of catalyst 1 is much faster than that of 2, while catalyst 2 has better recycling performance. The experimental part of the paper was very detailed, including the reaction process of (3-Fluorophenyl)boronic acid(cas: 768-35-4Application of 768-35-4)

(3-Fluorophenyl)boronic acid(cas: 768-35-4) can be used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.Application of 768-35-4

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

The author of 《A H2O2-responsive boron dipyrromethene-based photosensitizer for imaging-guided photodynamic therapy》 were Wang, Zhi-Wei; Su, Dan; Li, Xiao-Qiang; Cao, Jing-Jing; Yang, De-Chao; Liu, Jian-Yong. And the article was published in Molecules in 2019. Application In Synthesis of Methyl 2-chloro-2-oxoacetate The author mentioned the following in the article:

In this study, we demonstrate a novel H2O2 activatable photosensitizer (compound 7) which contains a diiodo distyryl boron dipyrromethene (BODIPY) core and an arylboronate group that quenches the excited state of the BODIPY dye by photoinduced electron transfer (PET). The BODIPY-based photosensitizer is highly soluble and remains nonaggregated in DMSO (DMSO) as shown by the intense and sharp Q-band absorption (707 nm). As expected, compound 7 exhibits negligible fluorescence emission and singlet oxygen generation efficiency. However, upon interaction with H2O2, both the fluorescence emission and singlet oxygen production of the photosensitizer can be restored in phosphate buffered saline (PBS) solution and PBS buffer solution containing 20% DMSO as a result of the cleavage of the arylboronate group. Due to the higher concentration of H2O2 in cancer cells, compound 7 even with low concentration is particularly sensitive to human cervical carcinoma (HeLa) cells (IC50 = 0.95μM) but hardly damage human embryonic lung fibroblast (HELF) cells. The results above suggest that this novel BODIPY derivative is a promising candidate for fluorescence imaging-guided photodynamic cancer therapy. In addition to this study using Methyl 2-chloro-2-oxoacetate, there are many other studies that have used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Application In Synthesis of Methyl 2-chloro-2-oxoacetate) was used in this study.

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Application In Synthesis of Methyl 2-chloro-2-oxoacetate

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

Xie, Chao; Wang, Jian-hui; Gong, Zheng-li published their research in Chaye Kexue on August 15 ,2008. The article was titled 《Analysis on aromatic constituents of fragrant flower [Chimonanthus praecox (L.) Link] in aroma releasing》.Application In Synthesis of 5-Chloro-1,2,4-thiadiazole The article contains the following contents:

The change of essential oil extracted by SDE method was studied by the gas chromatog. (GC), GC/MS and evaluation methods during Lamei [Chimonanthus praecox (L.) Link] blooming. The number and content of fragrant components of essential oil were changed during aroma releasing. The results showed that 26, 37, 43, 49 aromatic components in Lamei were identified by GC/MS data during the following four stages (bud, early spread, spread, blooming). In compared with the unbloomed bud, the content of alkyl compounds raised 0.590, 7.152 and 13.820 times and the alkenes compounds raised 0.424, 1.078 and 4.286 times, the alc. compounds raised 0.895, 3.324 and 5.091 times and the ester compounds raised 1.071, 2.182 and 15.101 times, resp. with the increase of opening of Lamei flower. The ketone compounds were appeared only during the later period of blooming. The content of ketone were increased steadily during the full blooming period and was 12.3 times higher than that in spreading flower period. Organoleptic evaluation showed that the Lamei buds expressed a low aroma and with green grass taste, and the specific aroma was only appeared during the flower-spreading period. It is characterized that the intensity of aroma was increased from low to high with the increasing of the flower opening. On the basis of above experiments results, the trend of fragrant components’ content by GC and GC/MS method and the results from organoleptic evaluation method were similar. The experimental process involved the reaction of 5-Chloro-1,2,4-thiadiazole(cas: 38362-15-1Application In Synthesis of 5-Chloro-1,2,4-thiadiazole)

5-Chloro-1,2,4-thiadiazole(cas: 38362-15-1) is a member of organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. They are generally not present in crude oils and are typically the result of additives, cleaning solutions or chemicals used for oil recovery.Application In Synthesis of 5-Chloro-1,2,4-thiadiazole

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

《Synthesis of vinyl sulfones through sulfonylation of styrenes with sulfonyl chlorides under metal-free conditions》 was written by Wang, Xia; Hu, Bo; Yang, Peng; Zhang, Qian; Li, Dong. Recommanded Product: Thiophene-2-sulfonyl chlorideThis research focused onvinyl sulfone preparation diastereoselective chemoselective green chem; styrene sulfonyl chloride sulfonylation hypervalent iodine catalyst. The article conveys some information:

A hypervalent iodine reagent-mediated sulfonylation of styrenes RR1C=CH2 (R = Ph, 4-methoxyphenyl, 3-methylphenyl, etc.; R1 = H, Ph) with sulfonyl chlorides R2SO2Cl (R2 = 4-methylphenyl, Ph, Et, thiophen-2-yl, etc.) was developed for the synthesis of vinyl sulfones RR1C=CHSO2R2. The reaction proceeded under metal-free, mild and neutral conditions without extra oxidants or bases. It also exhibited good air and moisture tolerance, broad substrate scope and high chemo-selectivity, affording the vinyl sulfones in moderate to good yields. The experimental process involved the reaction of Thiophene-2-sulfonyl chloride(cas: 16629-19-9Recommanded Product: Thiophene-2-sulfonyl chloride)

Thiophene-2-sulfonyl chloride(cas: 16629-19-9) is a member of sulfonyl chlorides. Sulfonyl chlorides are reactive sulfonic acid derivatives similar in properties and reactivity to acid chlorides of carboxylates. The sulfonic acid group, however, is a highly hindered molecule, containing a tetrahedral configuration of substituents. Recommanded Product: Thiophene-2-sulfonyl chloride

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