2-[(Cyanomethyl)sulfonyl]benzoic acid

Base Information

Chemical Name:2-[(Cyanomethyl)sulfonyl]benzoic acid
CAS No.:243984-87-4
Molecular Formula:C₉H₇NO₄S
Molecular Weight:225.225
Hs Code.:
DSSTox Substance ID:DTXSID101285937

Synonyms:243984-87-4;2-[(cyanomethyl)sulfonyl]benzoic acid;2-((cyanomethyl)sulfonyl)benzoic acid;2-(CYANOMETHANESULFONYL)BENZOIC ACID;2-(cyanomethylsulfonyl)benzoic acid;Benzoic acid, 2-[(cyanomethyl)sulfonyl]-;SCHEMBL4071143;DTXSID101285937;AKOS000167350;VS-01671;CS-0333496;F6548-0177

Suppliers and Price of 2-[(Cyanomethyl)sulfonyl]benzoic acid

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 2 raw suppliers

Chemical Property of 2-[(Cyanomethyl)sulfonyl]benzoic acid

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:225.00957888
Heavy Atom Count:15
Complexity:386

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC#N

Technology Process of 2-[(Cyanomethyl)sulfonyl]benzoic acid

There total 2 articles about 2-[(Cyanomethyl)sulfonyl]benzoic acid 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: 83.0%

: 243984-86-3
2-(cyanomethylthio)benzoic acid

: 243984-87-4
2-(cyanomethylsulfonyl)benzoic acid

Guidance literature:: With dihydrogen peroxide; acetic acid; at 100 ℃; for 6h;
DOI:10.1002/jhet.5570360314

Reference yield:

: 147-93-3
Thiosalicylic acid

: 243984-87-4
2-(cyanomethylsulfonyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / aq. NaOH / 1 h / Ambient temperature

2: 83 percent / 35 percent aq. H₂O₂, AcOH / 6 h / 100 °C

With sodium hydroxide; dihydrogen peroxide; acetic acid;
DOI:10.1002/jhet.5570360314