4-Chlorothiobenzoic acid O-methyl ester

Base Information

• Chemical Name: 4-Chlorothiobenzoic acid O-methyl ester
• CAS No.: 5925-49-5
• Molecular Formula: C8H7ClOS
• Molecular Weight: 186.662
• Mol file: 5925-49-5.mol

Synonyms:4-Chloro-thiobenzoic acid O-methyl ester;4-Chlor-thiobenzoesaeuremethylester;p-Chlorthiobenzoesaeure-O-methylester;4-Chlorthiobenzoesaeure-O-methylester;p-Chlor-thiobenzoesaeure-O-methylester;4-Chlor-thiobenzoesaeure-O-methylester;

Chemical Property of 4-Chlorothiobenzoic acid O-methyl ester

Chemical Property:

• PSA: 41.32000
• LogP: 2.66190

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Chlorothiobenzoic acid O-methyl ester

There total 6 articles about 4-Chlorothiobenzoic acid O-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: 70.0%

Methyl 4-chlorobenzoate (1126-46-1) → O-methyl 4-chlorobenzenecarbothioate (5925-49-5)

Guidance literature:

With tetraphosphorus decasulfide; In 5,5-dimethyl-1,3-cyclohexadiene; for 12h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2010.05.100

Reference yield:

(4-Chloro-phenyl)-methanesulfinic acid methyl ester → Methyl 4-chlorobenzoate (1126-46-1) + O-methyl 4-chlorobenzenecarbothioate (5925-49-5) + 4-chlorobenzaldehyde dimethyl acetal (3395-81-1) + 4-chlorobenzaldehyde (104-88-1)

Guidance literature:

With lithium methanolate; In tetrahydrofuran; methanol; 0 deg C, 15 min then 18 deg C, 2 h;

Reference yield:

(4-Chloro-phenyl)-methanesulfinic acid methyl ester → Methyl 4-chlorobenzoate (1126-46-1) + O-methyl 4-chlorobenzenecarbothioate (5925-49-5) + 4-chlorobenzaldehyde (104-88-1) + 3,6-bis(4-chlorophenyl)-2,7-dioxa-4,5-dithiaoctane

Guidance literature:

With lithium methanolate; In methanol; 0 deg C, 15 min, 18 deg C, 2 h;

upstream raw materials:

bis-(4-methyl-benzyl)-disulfide

Methyl 4-chlorobenzoate

Downstream raw materials:

C₁₈H₁₄ClNO₂S

Refernces

• 1、 Baudin, Jean-Bernard,Commenil, Marie-Gabrielle,Julia, Sylvestre A.,Lome, Robert,Ruel, Odile. "Carbophilic reactions of amines or methanol with thioaldehyde-S-oxides". . p. 1127 - 1141. Retrieved 2007/10/03.