3-Phenyl-4-isothiazolecarboxylic acid methyl ester

Base Information

• Chemical Name: 3-Phenyl-4-isothiazolecarboxylic acid methyl ester
• CAS No.: 21905-48-6
• Molecular Formula: C11H9NO2S
• Molecular Weight: 219.264
• Hs Code.: 2934999090
• Mol file: 21905-48-6.mol

Synonyms:3-phenyl-isothiazole-4-carboxylic acid methyl ester;4-Isothiazolecarboxylic acid,3-phenyl-,methyl ester;5-Carbomethoxy-3-phenyl-<1,2>thiazol;3-Phenyl-4-methoxycarbonyl-isothiazol;Methyl 3-phenyl-4-isothiazolecarboxylate;

Chemical Property of 3-Phenyl-4-isothiazolecarboxylic acid methyl ester

Chemical Property:

• PSA: 67.43000
• LogP: 2.59670

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-Phenyl-4-isothiazolecarboxylic acid methyl ester

There total 5 articles about 3-Phenyl-4-isothiazolecarboxylic acid methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 42.0%

propynoic acid methyl ester (922-67-8) + benzenecarbothioamide (2227-79-4) → 3,5-diphenyl-[1,2,4]thiadiazole (4115-15-5) + methyl 3-phenyl-1,2-thiazole-4-carboxylate (21905-48-6)

Guidance literature:

With oxygen; In benzene; for 20h; Irradiation;

Reference yield: 19.0%

benzamide (55-21-0,27208-38-4) + propynoic acid methyl ester (922-67-8) → methyl 3-phenyl-1,2-thiazole-4-carboxylate (21905-48-6) + methyl 3-phenyl-1,2-thiazole-5-carboxylate (68438-26-6)

Guidance literature:

benzamide; With chloro(chlorosulfanyl)methanone; In 1,4-dioxane; at 101 ℃; for 6h;

propynoic acid methyl ester; In m-xylene; at 139 ℃; for 24h;

Reference yield: 19.0%

C8H6ClNO2S + propynoic acid methyl ester (922-67-8) → methyl 3-phenyl-1,2-thiazole-4-carboxylate (21905-48-6) + methyl 3-phenyl-1,2-thiazole-5-carboxylate (68438-26-6)

Guidance literature:

In 1,4-dioxane; m-xylene; at 139 ℃; for 24h;

upstream raw materials:

N-benzyl-imidosulfurous acid difluoride

propynoic acid methyl ester

benzenecarbothioamide

benzamide

Downstream raw materials:

2-(3-phenyl-isothiazol-4-yl)-propan-2-ol