Methyl 4-Mercaptobenzoate

Base Information

• Chemical Name: Methyl 4-Mercaptobenzoate
• CAS No.: 6302-65-4
• Molecular Formula: C8H8O2S
• Molecular Weight: 168.216
• Hs Code.: 2930909090
• Mol file: 6302-65-4.mol

Synonyms:methyl-4-sulfanylbenzoate;methyl 4-thiobenzoate;methyl 4-mercaptobenzoate;4-mercapto-benzoic acid methyl ester;4-mercaptobenzoate;methyl p-mercaptobenzoate;

Chemical Property of Methyl 4-Mercaptobenzoate

Chemical Property:

• Vapor Pressure: 0.00849mmHg at 25°C
• Melting Point: 33-36°C
• Boiling Point: 110-113°C/0.5mm
• PKA: 5.50±0.10(Predicted)
• Flash Point: 167.9°C
• PSA: 65.10000
• Density: 1.202g/cm³
• LogP: 1.76190
• Storage Temp.: Refrigerator, Under Inert Atmosphere

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-Mercaptobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 4-Mercaptobenzoate is a useful synthetic intermediate.

Technology Process of Methyl 4-Mercaptobenzoate

There total 13 articles about Methyl 4-Mercaptobenzoate 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: 97.7%

methanol (67-56-1) + 4-mercaptobenzoic acid (1074-36-8) → methyl 4-mercaptobenzoate (6302-65-4)

Guidance literature:

With sulfuric acid; Reflux;

Reference yield: 93.0%

methyl 3-<(methoxycarbonyl)thio>benzoate → methyl 4-mercaptobenzoate (6302-65-4)

Guidance literature:

With sodium methylate; In methanol; at 5 - 10 ℃; for 0.166667h;

DOI:10.1080/00397919508015455

Reference yield: 78.0%

dimethyl 4,4'-dithiobisbenzoate (35190-68-2) → methyl 4-mercaptobenzoate (6302-65-4)

Guidance literature:

In acetic acid;

upstream raw materials:

methanol

4-mercaptobenzoic acid

methyl 4-(methylthio)benzoate

dimethyl 4,4'-dithiobisbenzoate

Downstream raw materials:

4-Heptafluoropropylsulfanyl-benzoic acid methyl ester

4-(1,2,2,2-Tetrafluoro-1-trifluoromethyl-ethylsulfanyl)-benzoic acid methyl ester

Ethyl-4-carbomethoxyphenyl-disulfid

C₄₂H₆₀O₁₁S

Refernces

• 1、 Acker, Sophie,Kaufmann, Dieter E.,Namyslo, Jan C.,Plarre, Rudy,S?ftje, Martin. "Novel nicotinoid structures for covalent modification of wood: An environmentally friendly way for its protection against insects". . p. 15726 - 15733. Retrieved 2020/05/13.
• 2、 Curran, Danielle,Dada, Oyinlola,Müller-Bunz, Helge,Rothemund, Matthias,Sánchez-Sanz, Goar,Schobert, Rainer,Zhu, Xiangming,Tacke, Matthias. "Synthesis and cytotoxicity studies of novel NHC?-gold(I) complexes derived from lepidiline A". . . Retrieved 2018/09/26.