Methylsulfinylmethyl 2-acetoxybenzoate

Base Information

Chemical Name:Methylsulfinylmethyl 2-acetoxybenzoate
CAS No.:76432-33-2
Molecular Formula:C11H12 O5 S
Molecular Weight:256.279
Hs Code.:2930909090
DSSTox Substance ID:DTXSID40872061
Nikkaji Number:J1.586.976C
ChEMBL ID:CHEMBL350274
Mol file:76432-33-2.mol

Synonyms:methylsulfinylmethyl 2-acetoxybenzoate;MSMAB

Suppliers and Price of Methylsulfinylmethyl 2-acetoxybenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Methylsulfinylmethyl 2-acetoxybenzoate

Chemical Property:

Vapor Pressure:2.84E-08mmHg at 25°C
Melting Point:80.5°C
Refractive Index:1.5060 (estimate)
Boiling Point:449.5°C at 760 mmHg
Flash Point:225.7°C
PSA：88.88000
Density:1.341g/cm³
LogP:1.97040
Water Solubility.:4.23g/L(21 oC)
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:256.04054465
Heavy Atom Count:17
Complexity:315

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=CC=CC=C1C(=O)OCS(=O)C

Technology Process of Methylsulfinylmethyl 2-acetoxybenzoate

There total 2 articles about Methylsulfinylmethyl 2-acetoxybenzoate 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: 80.0%

: 76432-30-9
methylthiomethyl 2-acetoxybenzoate

: 76432-33-2
methylsulfinylmethyl 2-acetoxybenzoate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; Ambient temperature;
DOI:10.1002/jps.2600700708

Reference yield:

: 50-78-2,98201-60-6
aspirin

: 76432-33-2
methylsulfinylmethyl 2-acetoxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / acetonitrile / 24 h / Heating

2: 80 percent / m-chloroperbenzoic acid / CHCl₃ / Ambient temperature

With triethylamine; 3-chloro-benzenecarboperoxoic acid; In chloroform; acetonitrile;
DOI:10.1002/jps.2600700708

Reference yield:

: 76432-33-2
methylsulfinylmethyl 2-acetoxybenzoate

: 76432-32-1
salicylic acid (methylsulfinyl)methyl ester

: 50-78-2,98201-60-6
aspirin

Guidance literature:: With 10 percent human plasma; In acetonitrile; at 37 ℃; Rate constant; phosphate buffer (pH 7.4); or in undiluted plasma;
DOI:10.1021/jm00123a040