Tag: 100-200

The chlorination of some N,N-dimethylanilines with 1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (trichloroisocyanuric acid) was written by Rosevear, Judi;Wilshire, John F. K.. And the article was included in Australian Journal of Chemistry in 1980.Safety of 2-Chloro-N,N-dimethylaniline This article mentions the following:

The reaction of some representative N,N-dimethylanilines and of Fischer’s base (1,3,3-trimethyl-2-methyleneindoline) with trichloroisocyanuric acid in concentrated H₂SO₄ was investigated. In many cases mixtures of chlorinated products were obtained; these mixtures were examined both by gas-liquid chromatog. and by NMR. The reaction of PhNMe₂ with dichloroisocyanuric acid was also studied. Substitution tended to occur ortho to the dimethylamino group. This behavior therefore differs from that reported for the corresponding brominations involving dibromoisocyanuric acid, where meta substitution was observed In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1Safety of 2-Chloro-N,N-dimethylaniline).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Safety of 2-Chloro-N,N-dimethylaniline

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

Kinetic study of hydrolysis of benzoates. Part XXVI. Variation of the substituent effect with solvent in alkaline hydrolysis of substituted alkyl benzoates was written by Nummert, Vilve;Piirsalu, Mare;Koppel, Ilmar A.. And the article was included in Collection of Czechoslovak Chemical Communications in 2006.Computed Properties of C8H7ClO2 This article mentions the following:

The second-order rate constants k₂ (dm³ mol^-1 s^-1) for the alk. hydrolysis of substituted alkyl benzoates C₆H₅CO₂R were measured spectrophotometrically in aqueous 0.5 M Bu₄NBr at 50 and 25 °C (R = CH₃, CH₂Cl, CH₂CN, CH₂C≡CH, CH₂C₆H₅, CH₂CH₂Cl, CH₂CH₂OCH₃, CH₂CH₃) and in aqueous 5.3 M NaClO₄ at 25 °C (R = CH₃, CH₂Cl, CH₂CN, CH₂C≡CH). The dependence of the alkyl substituent effects on different solvent parameters was studied using the following equations:. Δ Log k = c₀ + c₁σ₁ + c₂E₅^B + c₃ΔE + c₄ΔY + c₅ΔP + c₆ΔEσ₁ + c₇ΔYσ₁ + c₈ΔPσ₁. Δ Log k = c₀ + c₁σ^* + c₂E_s^B + c₃ΔE + c₄ΔY + c₅ΔP + c₆ΔEσ^* + c₇ΔYσ^* + c₈ΔPσ^*. Δ Log k = log k^R – log k^CH3·σ₁ and σ^* are the Taft inductive and polar substituent constants E, Y and P are the solvent electrophilicity, polarity and polarizability parameters, resp. In the data treatment ΔE = E_S – E_H2O, ΔY = Y_S – Y_H2O, ΔP = P_S – P_H2O were used. The solvent electrophilicity, E, is the main factor responsible for changes in alkyl substituent effects with medium. When σ₁ constants were used, variation of the polar term of alkyl substituents with the solvent electrophilicity E is similar to that observed earlier for meta and para substituents, but twice less when σ^* constants were used. The steric term for alkyl substituents was approx. independent of the solvent parameters. In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Computed Properties of C8H7ClO2).

Chloromethyl benzoate (cas: 5335-05-7) 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. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Computed Properties of C8H7ClO2

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

Synthesis, Nematicidal Evaluation, and 3D-QSAR Analysis of Novel 1,3,4-Oxadiazole-Cinnamic Acid Hybrids was written by Chen, Jixiang;Chen, Yongzhong;Gan, Xiuhai;Song, Baojing;Hu, Deyu;Song, Baoan. And the article was included in Journal of Agricultural and Food Chemistry in 2018.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

A series of novel 1,3,4-oxadiazole-cinnamic acid hybrids were synthesized. The bioassays results indicated that the compounds (I), (II), (III), and (IV) showed excellent nematicidal activities against Tylenchulus semipenetrans with LC50/48 h values of 9.7 ± 1.6, 15.6 ± 2.8, 8.0 ± 0.5, and 19.8 ± 2.9 mg/L, resp., which were higher than avermectin (32.6 ± 4.5 mg/L) and fosthiazate (67.8 ± 1.7 mg/L). The low toxicity compound 26 with excellent nematicidal activity in vitro (LC50/48 h = 8.2 ± 1.2 mg/L) was designed based on the predictive CoMFA (q2 = 0.795, r2 = 0.921) and CoMSIA (q² = 0.762, r² = 0.912) models. The control effect of compound (V) was 69.8% at an ED of 1.0 g/plant in field experiment, which effect was superior to fosthiazate (67.2%). This work indicated 1,3,4-oxadiazole-cinnamic acid hybrids may be used as potential nematicides. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Recommanded Product: 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene

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

New orally active cephalosporin esters was written by Yamada, Hirotada;Ueda, Shinji;Mutoh, Masayuki;Nagata, Hideo;Nouda, Hiroshi;Fukasawa, Masatomo;Okuda, Takao. And the article was included in Journal of Antibiotics in 1990.Electric Literature of C8H7ClO2 This article mentions the following:

The cephalopsorin I [R = 3-methyl-1,2,4-thiadiazol-5-yl(Q), R¹ = H] and its esters I [R¹ = CO₂CH₂O₂CR², R² = CMe₃, heterocyclic, Ph) were prepared Esters I (R = 1-methyl-5-tetrazolyl, 5-methyl-1,3,4-thiadiazol-2-yl, 1,2,4-thiadiazol-5-yl, R¹ = CO₂CH₂O₂CCMe₃) were also prepared I (R = Q, R¹ = H) had bactericidal activity comparable to that of cefotaxime and its ester I (R = Q, R¹ = CO₂CH₂O₂CCMe₃) gave high serum levels. In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Electric Literature of C8H7ClO2).

Chloromethyl benzoate (cas: 5335-05-7) 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. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Electric Literature of C8H7ClO2

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

Novel 6-N-arylcarboxamidopyrazolo[4,3-d]pyrimidin-7-one derivatives as potential anti-cancer agents was written by Devegowda, Vani N.;Kim, Jung Hyun;Han, Ki-Cheol;Yang, Eun Gyeong;Choo, Hyunah;Pae, Ae Nim;Nam, Ghilsoo;Choi, Kyung Il. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2010.Synthetic Route of C9H9ClO2 This article mentions the following:

A novel series of 3,5,6-trisubstituted pyrazolo[4,3-d]pyrimidin-7-one derivatives, especially 6-N-arylcarboxamidopyrazolo[4,3-d]pyrimidin-7-ones, were synthesized and evaluated for their in vitro anticancer activities against various human cancer cell lines. The inhibitory activities for several kinases have also been tested. The prepared compounds library exhibited significant anticancer activity towards HT-29 colon and DU-145 prostate cancer cell lines. The structure-activity relationships of the 6-N-arylcarboxamidopyrazolo[4,3-d]pyrimidin-7-one scaffold I at R¹, R² and R³ have been elucidated. Among the synthesized compounds, II (R = 3-Me) was the most active compound with GI₅₀ values of 0.44 μM and 1.07 μM against HT-29 and DU-145 cell lines, resp., and II (R = 4-tBu) was the most selective compound towards the colon cancer cell line. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Synthetic Route of C9H9ClO2).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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.Synthetic Route of C9H9ClO2

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

A novel series of [1,2,4]triazolo[4,3-a]pyridine sulfonamides as potential antimalarial agents: in silico studies, synthesis and in vitro evaluation was written by Karpina, Veronika R.;Kovalenko, Svitlana S.;Kovalenko, Sergiy M.;Drushlyak, Oleksandr G.;Bunyatyan, Natalya D.;Georgiyants, Victoriya A.;Ivanov, Vladimir V.;Langer, Thierry;Maes, Louis. And the article was included in Molecules in 2020.Computed Properties of C8H9Cl This article mentions the following:

For the development of new and potent antimalarial drugs, the virtual library with three points of randomization of novel [1,2,4]triazolo[4,3-a]pyridines bearing a sulfonamide fragment, e.g., I has been described. The library of 1561 compounds has been investigated by both virtual screening and mol. docking methods using falcipain-2 as a target enzyme. 25 Chosen hits were synthesized and evaluated for their antimalarial activity in vitro against Plasmodium falciparum. 3-Ethyl-N-(3-fluorobenzyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide and 2-(3-chlorobenzyl)-8-(piperidin-1-ylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one showed in vitro good antimalarial activity with inhibitory concentration IC₅₀ = 2.24 and 4.98μM, resp. This new series of compounds may serve as a starting point for future antimalarial drug discovery programs. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Computed Properties of C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Computed Properties of C8H9Cl

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

Double C-S bond formation via multiple Csp³-H bond cleavage: synthesis of 4-hydroxythiazoles from amides and elemental sulfur under metal-free conditions was written by Chen, Liang;Xuchen, Xinyu;Wang, Fei;Yang, Yuan;Deng, Guobo;Liu, Yilin;Liang, Yun. And the article was included in Organic & Biomolecular Chemistry in 2021.Application of 6834-42-0 This article mentions the following:

A novel and efficient approach for the synthesis of 4-hydroxythiazoles I (R¹ = Ph, 1H-indol-3-yl, 1-naphthyl, etc.; R² = Ph, furan-2-yl, benzo[b]thiophen-2-yl, etc.) from amides R¹CH₂C(O)NHCH₂C(O)R² and elemental sulfur has been developed. In the presence of P₂O₅, DMSO and HMPA, this metal-free protocol proceeds smoothly and tolerates a spectrum of functional groups. Furthermore, this strategy involves the process of double Csp³-S bond formation through the cleavage of multiple Csp³-H bonds for the first time. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Application of 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) 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.Application of 6834-42-0

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

Cardioselective K_ATP Channel Blockers Derived from a New Series of m-Anisamidoethylbenzenesulfonylthioureas was written by Englert, Heinrich C.;Gerlach, Uwe;Goegelein, Heinz;Hartung, Jens;Heitsch, Holger;Mania, Dieter;Scheidler, Sabine. And the article was included in Journal of Medicinal Chemistry in 2001.Product Details of 3438-16-2 This article mentions the following:

Sulfonylthioureas exhibiting cardioselective blockade of ATP-sensitive potassium channels (K_ATP channels) were discovered by stepwise structural variations of the antidiabetic sulfonylurea glibenclamide. As screening assays, reversal of rilmakalim-induced shortening of the cardiac action potential in guinea pig papillary muscles was used to probe for activity on cardiac K_ATP channels as the target, and membrane depolarization in CHO cells stably transfected with hSUR1/hKir6.2 was used to probe for unwanted side effects on pancreatic K_ATP channels. Changing glibenclamide’s para-arrangement of substituents in the central aromatic ring to a meta-pattern associated with size reduction of the substituent at the terminal nitrogen atom of the sulfonylurea moiety was found to achieve cardioselectivity. An addnl. change from a sulfonylurea moiety to a sulfonylthiourea moiety along with an appropriate substituent in the ortho-position of the central aromatic system was a successful strategy to further improve potency on the cardiac K_ATP channel. Among this series of sulfonylthioureas HMR1883, 1-[5-[2-(5-chloro-o-anisamido)ethyl]-2-methoxyphenyl]sulfonyl-3-methylthiourea, and its sodium salt HMR1098 were selected for development and represent a completely new therapeutic approach toward the prevention of life-threatening arrhythmias and sudden cardiac death in patients with coronary heart disease. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Product Details of 3438-16-2).

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) 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.Product Details of 3438-16-2

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

Effects of neutral and charged substituents on the infrared carbonyl stretching frequencies in phenyl and alkyl benzoates in DMSO was written by Nummert, Vilve;Piirsalu, Mare;Vahur, Signe;Toom, Lauri;Leito, Ivo;Koppel, Ilmar A.. And the article was included in Journal of Physical Organic Chemistry in 2017.Electric Literature of C8H7ClO2 This article mentions the following:

The carbonyl IR stretching frequencies for 57 meta-, para- and ortho-substituted Ph benzoates, C₆H₅CO₂C₆H₄-X and alkylbenzoates, C₆H₅CO₂R, containing besides neutral substituents the charged substituents in phenoxy and alkoxy part in DMSO (DMSO) have been recorded. The carbonyl stretching frequencies, ν_CO, for meta- and para-substituted Ph esters of benzoic acids in the case of neutral substituents were found to correlate well with the substituent constants, σ°. The ν_CO values for ortho derivatives correlated with the inductive substituent constants, σ_I, only. The values of constants for charged substituents, σ°_±, calculated on the basis of the ν_CO and the ¹³C NMR chem. shifts, δ_CO, in DMSO agree well with the σ°_± values for the corresponding ion pairs reported by Hoefnagel and Wepster and those determined from the log k values of the alk. hydrolysis in 4.4 M NaCl solution at 50 °C. Thus, the values of substituent constants for ion pairs of charged substituents estimated on the basis of aqueous data could be successfully used in non-aqueous solution (DMSO) simultaneously with neutral substituents in case the charged substituents were not completely ionized and are in ion pair form. Copyright © 2016 John Wiley & Sons, Ltd. In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Electric Literature of C8H7ClO2).

Chloromethyl benzoate (cas: 5335-05-7) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Electric Literature of C8H7ClO2

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

Enantioselectivity of Candida rugosa lipase toward carboxylic acids: A predictive rule from substrate mapping and x-ray crystallography was written by Ahmed, Sharmin N.;Kazlauskas, Romas J.;Morinville, Anne H.;Grochulski, Pawel;Schrag, Joseph D.;Cygler, Miroslaw. And the article was included in Biocatalysis in 1994.Product Details of 7476-66-6 This article mentions the following:

Substrate mapping was used to develop a rule that predicts which enantiomer of chiral carboxylic acid esters reacts faster in hydrolyses catalyzed by lipase from Candida rugosa (CRL). This rule, based on the size of the substituents at the stereocenter, is not reliable for crude CRL. It predicts the favored enantiomer for only 23 of 34 examples, 68% reliability. However, this rule is completely reliable for purified CRL; it predicts the favored enantiomer for all 16 examples correctly. The examples include arylpropanoic acids, aryloxypropanoic acids, α-halophenylacetic acids, mandelic acid and O-methylmandelic acid. Further, purified CRL did not catalyze the hydrolysis of N-CBZ-phenylalanine Me ester and N-CBZ-norleucine Me ester. These 2 substrates were exceptions to the rule with crude CRL as the catalyst. Besides eliminating several exceptions, purification also raised the enantioselectivity of CRL toward carboxylic acid esters. To provide a structural basis for this proposed rule, the x-ray crystal structure of CRL containing transition state analogs of ester hydrolysis was examined It was suggested that the large substituent of chiral carboxylic acids binds in a tunnel that normally binds the alkyl chain of a fatty acid. The Ph rings of Phe 345 and Phe 415 lie close to the stereocenter, thereby fixing the orientation of the medium substituent. The 3-dimensional orientation of these proposed binding sites is consistent with the rule derived from substrate mapping. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6Product Details of 7476-66-6).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Product Details of 7476-66-6

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