{[3-Chloro-4-(methanesulfonyl)phenyl]sulfanyl}acetic acid

Base Information

Chemical Name:{[3-Chloro-4-(methanesulfonyl)phenyl]sulfanyl}acetic acid
CAS No.:113419-84-4
Molecular Formula:C9H9ClO4S2
Molecular Weight:280.753
Hs Code.:
DSSTox Substance ID:DTXSID30556161
Wikidata:Q82437648
Mol file:113419-84-4.mol

Synonyms:113419-84-4;{[3-Chloro-4-(methanesulfonyl)phenyl]sulfanyl}acetic acid;DTXSID30556161

Suppliers and Price of {[3-Chloro-4-(methanesulfonyl)phenyl]sulfanyl}acetic 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 1 raw suppliers

Chemical Property of {[3-Chloro-4-(methanesulfonyl)phenyl]sulfanyl}acetic acid

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:279.9630788
Heavy Atom Count:16
Complexity:349

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)C1=C(C=C(C=C1)SCC(=O)O)Cl

Technology Process of {[3-Chloro-4-(methanesulfonyl)phenyl]sulfanyl}acetic acid

There total 1 articles about {[3-Chloro-4-(methanesulfonyl)phenyl]sulfanyl}acetic 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: 81.0%

: 85901-48-0
2,4-dichloro-methylsulfonylbenzene

: 16561-17-4
thioglycolate dianion

: 113419-84-4
(3-Chloro-4-methanesulfonyl-phenylsulfanyl)-acetic acid

Guidance literature:: In water; N,N-dimethyl-formamide; at 120 ℃; for 3h;
DOI:10.1246/cl.1988.1393

Reference yield: 72.0%

: 113419-84-4
(3-Chloro-4-methanesulfonyl-phenylsulfanyl)-acetic acid

: 117577-20-5
(3-Hydroxy-4-methanesulfonyl-phenylsulfanyl)-acetic acid

Guidance literature:: With potassium hydroxide; In water; dimethyl sulfoxide; at 110 ℃; for 6h;
DOI:10.1246/cl.1988.1393

Reference yield:

: 113419-84-4
(3-Chloro-4-methanesulfonyl-phenylsulfanyl)-acetic acid

: 113419-87-7
2,5-di(methylsulfonyl)phenol

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / KOH / dimethylsulfoxide; H₂O / 6 h / 110 °C

2: 1.) CH₃CO₃H; 2.) NaOH / 1.) AcOH, 80 deg C, 2 h; 2.) 100 deg C, 6 h

With peracetic acid; potassium hydroxide; sodium hydroxide; In water; dimethyl sulfoxide;
DOI:10.1246/cl.1988.1393