4-Chlorothiobenzoic acid S-methyl ester

Base Information

• Chemical Name: 4-Chlorothiobenzoic acid S-methyl ester
• CAS No.: 5925-67-7
• Molecular Formula: C12H10N2O4
• Molecular Weight: 186.662
• Mol file: 5925-67-7.mol

Synonyms:4-Chlorbenzoesaeure-S-methylester;S-methyl p-chlorobenzothioate;p-Chlorthiobenzoesaeure-S-methylester;methyl chlorobenzenethiocarboxylate;4-Chlor-thiobenzoesaeure-methylester;5-Methyl-N-(3-nitrophenyl)-2-furamide;

Chemical Property of 4-Chlorothiobenzoic acid S-methyl ester

Chemical Property:

• Vapor Pressure: 0.000576mmHg at 25°C
• Boiling Point: 311.1°Cat760mmHg
• Flash Point: 141.9°C
• PSA: 88.06000
• Density: 1.373g/cm³
• LogP: 3.34470

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Chlorothiobenzoic acid S-methyl ester

There total 6 articles about 4-Chlorothiobenzoic acid S-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: 77.0%

4-methylsulfanyl-2-butanone (34047-39-7) + carbon monoxide (201230-82-2) + p-chlorobenzenediazonium tetrafluoroborate (673-41-6) → methyl chlorobenzenethiocarboxylate (5925-67-7)

Guidance literature:

With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; palladium diacetate; In tert-butyl alcohol; at 60 ℃; for 16h; under 7500.75 Torr; Sealed tube; Autoclave;

DOI:10.1021/acs.joc.1c00665

Reference yield: 55.0%

C2H3OS(1+)*F6Sb(1-) (75626-81-2) + chlorobenzene (108-90-7) → methyl chlorobenzenethiocarboxylate (5925-67-7)

Guidance literature:

In liquid sulphur dioxide; at -40 ℃; for 0.333333h;

DOI:10.1021/jo00315a040

Reference yield: 52.0%

methyl thiocyanate (556-64-9) + para-chlorobenzoic acid (74-11-3) → methyl chlorobenzenethiocarboxylate (5925-67-7)

Guidance literature:

With trifluoroacetic acid; for 2h; Heating;

DOI:10.1007/BF00869524

upstream raw materials:

C₂H₃OS⁽¹⁺⁾*F₆Sb^(1-)

chlorobenzene

methyl thiocyanate

para-chlorobenzoic acid

Downstream raw materials:

1-(4-Chloro-phenyl)-2,2,2-tris-methylsulfanyl-ethanone

p-chlorophenyl di(methylthio)methyl ketone

1-chloro-4-((methylsulfonyl)methyl)benzene

para-chlorobenzoic acid

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