Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester

Base Information

Chemical Name:Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester
CAS No.:76432-35-4
Molecular Formula:C11H12 O6 S
Molecular Weight:272.279
Hs Code.:2918229000
DSSTox Substance ID:DTXSID60227251
Nikkaji Number:J1.586.977A
Wikidata:Q83106934
ChEMBL ID:CHEMBL165235
Mol file:76432-35-4.mol

Synonyms:76432-35-4;Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester;CHEMBL165235;DTXSID60227251;2-Acetoxy-benzoic acid methanesulfonylmethyl ester

Suppliers and Price of Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester

Chemical Property:

Vapor Pressure:8.23E-09mmHg at 25°C
Melting Point:150°C
Refractive Index:1.5300 (estimate)
Boiling Point:464.6°C at 760 mmHg
Flash Point:234.8°C
PSA：95.12000
Density:1.344g/cm³
LogP:1.85160
Water Solubility.:0.11g/L(21 oC)
XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:272.03545927
Heavy Atom Count:18
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester

There total 1 articles about Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)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:

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

: 76432-35-4
methylsulfonylmethyl 2-acetoxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / acetonitrile / 24 h / Heating

2: m-chloroperbenzoic acid / CHCl₃ / 0 °C

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

Reference yield:

: 76432-35-4
methylsulfonylmethyl 2-acetoxybenzoate

: 76432-34-3
salicylic acid (methylsulfonyl)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

Reference yield:

: 76432-35-4
methylsulfonylmethyl 2-acetoxybenzoate

: 69-72-7,25496-36-0,8052-31-1
salicylic acid

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

Guidance literature:: With Carbonate buffer; In acetonitrile; at 50.8 ℃; Rate constant; Mechanism; Product distribution; hydrolysis, pH dependence, various aspirin prodrugs;
DOI:10.1002/jps.2600700709