4-Nitrothiobenzoic acid methyl ester

Base Information

• Chemical Name: 4-Nitrothiobenzoic acid methyl ester
• CAS No.: 25033-14-1
• Molecular Formula: C8H7NO3S
• Molecular Weight: 197.21100
• Mol file: 25033-14-1.mol

Synonyms:methyl 4-nitrothionobenzoate;p-Nitrothiobenzoesaeure-O-methylester;4-Nitro-thiobenzoic acid O-methyl ester;O-Methyl 4-(nitro)thiobenzoate;4-Nitrothiobenzoic acid methyl ester;

Chemical Property of 4-Nitrothiobenzoic acid methyl ester

Chemical Property:

• PSA: 87.14000
• LogP: 2.43990

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Nitrothiobenzoic acid methyl ester

There total 3 articles about 4-Nitrothiobenzoic 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: 28.0%

4-nitrobenzoic acid methyl ester (619-50-1) → O-methyl 4-nitrobenzenecarbothioic acid (25033-14-1)

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-nitrobenzonitrile (619-72-7) → O-methyl 4-nitrobenzenecarbothioic acid (25033-14-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

2: H₂S, NH₄Cl

With hydrogenchloride; hydrogen sulfide; ammonium chloride;

Reference yield:

methyl imini ester hydrochloride of 4-nitrobenzoic acid (39739-52-1) → O-methyl 4-nitrobenzenecarbothioic acid (25033-14-1)

Guidance literature:

With pyridine; hydrogen sulfide; Yield given;

DOI:10.1055/s-1989-27356

upstream raw materials:

methyl imini ester hydrochloride of 4-nitrobenzoic acid

4-nitrobenzoic acid methyl ester

4-nitrobenzonitrile

Downstream raw materials:

1-(Dimethoxy-methylsulfanyl-methyl)-4-nitro-benzene

C₁₈H₁₄N₂O₄S

C₁₇H₁₂N₂O₄S