2-Chloro-5-methylsulfanylbenzoic acid

Base Information

• Chemical Name: 2-Chloro-5-methylsulfanylbenzoic acid
• CAS No.: 51546-12-4
• Molecular Formula: C8H7 Cl O2 S
• Molecular Weight: 202.661
• Hs Code.: 2930909090
• Mol file: 51546-12-4.mol

Synonyms:2-Chloro-5-(methylthio)benzoicacid; 2-Chloro-5-methylsulfanylbenzoic acid

Chemical Property of 2-Chloro-5-methylsulfanylbenzoic acid

Chemical Property:

• Vapor Pressure: 2.9E-05mmHg at 25°C
• Melting Point: 136-137 °C(lit.)
• Boiling Point: 342.4°Cat760mmHg
• PKA: 2.74±0.25(Predicted)
• Flash Point: 160.9°C
• PSA: 62.60000
• Density: 1.42
• LogP: 2.76010
• Storage Temp.: -20°C

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-(methylthio)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chloro-5-(methylthio)benzoic acid may be used in chemical synthesis studies.

Technology Process of 2-Chloro-5-methylsulfanylbenzoic acid

There total 1 articles about 2-Chloro-5-methylsulfanylbenzoic acid 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: 28.0%

methyl 2-chloro-5-methylsulfanyl-benzoate (886973-19-9) + copper(I) cyanide (544-92-3) → methyl 2-cyano-5-(methylthio)benzoate (127510-97-8) + 2-chloro-5-(methylthio)benzoic acid (51546-12-4)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 160 ℃; for 72h;

Reference yield: 100.0%

methanol (67-56-1) + 2-chloro-5-(methylthio)benzoic acid (51546-12-4) → methyl 2-chloro-5-methylsulfanyl-benzoate (886973-19-9)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃;

Reference yield: 94.0%

5-benzyl 1-methyl D-glutamate + 2-chloro-5-(methylthio)benzoic acid (51546-12-4) → 1-methyl 5-benzyl (2R)-2-[2-chloro-5-(methylthio)benzamido]pentanedioate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1002/cmdc.201700396

upstream raw materials:

methyl 2-chloro-5-methylsulfanyl-benzoate

copper(I) cyanide

Downstream raw materials:

2-chloro-5-(methylthio)aniline

N-(2-chloro-5-(methylthio)phenyl)cyanamide

2-chloro-5-methanesulfinyl-phenyl-cyanamide