2-(Methylsulfanyl)benzoic anhydride

Base Information

• Chemical Name: 2-(Methylsulfanyl)benzoic anhydride
• CAS No.: 62351-53-5
• Molecular Formula: C₁₆H₁₄O₃S₂
• Molecular Weight: 318.417
• DSSTox Substance ID: DTXSID70492897
• Wikidata: Q82339120
• Mol file: 62351-53-5.mol

Synonyms:2-(Methylsulfanyl)benzoic anhydride;62351-53-5;DTXSID70492897;XMXDDBIWASGZCG-UHFFFAOYSA-N;2-(Methylthio)benzoic acid anhydride

Chemical Property of 2-(Methylsulfanyl)benzoic anhydride

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 318.03843665
• Heavy Atom Count: 21
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2SC

Technology Process of 2-(Methylsulfanyl)benzoic anhydride

There total 4 articles about 2-(Methylsulfanyl)benzoic anhydride 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:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → o-Methylmercapto-benzoesaeureanhydrid (62351-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) HNO₂, (ii) EtOCS₂K, (iii) /BRN= 635994/, aq. NaOH

2: Py / Heating

With pyridine;

DOI:10.1039/j39690000731

Reference yield:

2-(methylthio)benzoic acid (3724-10-5) → o-Methylmercapto-benzoesaeureanhydrid (62351-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: Py / Heating

With pyridine; thionyl chloride;

DOI:10.1039/j39690000731

Reference yield:

2-methylsulfanyl-benzoyl chloride (1442-03-1) + 2-(methylthio)benzoic acid (3724-10-5) → o-Methylmercapto-benzoesaeureanhydrid (62351-53-5)

Guidance literature:

With pyridine; Heating;

DOI:10.1039/j39690000731

upstream raw materials:

2-methylsulfanyl-benzoyl chloride

2-(methylthio)benzoic acid

anthranilic acid

Downstream raw materials:

2-methylsulfanyl-benzoic acid-((1R)-menthyl ester)