2-Chloro-2-oxo-1-phenylethanesulfonic acid

Base Information

Chemical Name:2-Chloro-2-oxo-1-phenylethanesulfonic acid
CAS No.:40125-73-3
Molecular Formula:C8H7ClO4S
Molecular Weight:234.66
Hs Code.:2914700090
DSSTox Substance ID:DTXSID101250358
Nikkaji Number:J30.624J
Mol file:40125-73-3.mol

Synonyms:40125-73-3;alpha-sulfophenylacetyl chloride;2-chloro-2-oxo-1-phenylethanesulfonic acid;SCHEMBL9687537;PIMQVFSTMNWDMJ-UHFFFAOYSA-N;DTXSID101250358;A-SULFOPHENYLACETYL CHLORIDE;alpha-(Chlorocarbonyl)benzenemethanesulfonic acid

Suppliers and Price of 2-Chloro-2-oxo-1-phenylethanesulfonic 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-Chloro-2-oxo-1-phenylethanesulfonic acid

Chemical Property:

PSA：79.82000
LogP:2.46170
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:233.9753576
Heavy Atom Count:14
Complexity:300

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C(=O)Cl)S(=O)(=O)O

Technology Process of 2-Chloro-2-oxo-1-phenylethanesulfonic acid

There total 2 articles about 2-Chloro-2-oxo-1-phenylethanesulfonic 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: 91.83%

: 41360-32-1
racemic α-sulfophenylacetic acid

: 40125-73-3
2-sulpho-2-phenylacetyl chloride

Guidance literature:: With bis(trichloromethyl) carbonate; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; at 5 - 20 ℃; for 1h; Temperature;

Reference yield:

: 103-82-2
phenylacetic acid

: 40125-73-3
2-sulpho-2-phenylacetyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1.1: fuming sulphuric acid / 1,2-dichloro-ethane; 1,4-dioxane / 42 - 160 °C

1.2: 0 °C / pH 8 - 8.5

1.3: 732-type cation exchange resin / pH < 7

2.1: thionyl chloride / diethyl ether / 2 h / 20 °C

With thionyl chloride; fuming sulphuric acid; In 1,4-dioxane; diethyl ether; 1,2-dichloro-ethane;