4-Acetamido-3-methylbenzene-1-sulfonyl chloride

Base Information

Chemical Name:4-Acetamido-3-methylbenzene-1-sulfonyl chloride
CAS No.:14988-21-7
Molecular Formula:C9H10 Cl N O3 S
Molecular Weight:247.702
Hs Code.:2924299090
DSSTox Substance ID:DTXSID00469274
Wikidata:Q82296927
Mol file:14988-21-7.mol

Synonyms:14988-21-7;4-Acetamido-3-methylbenzene-1-sulfonyl chloride;4-ACETAMIDO-3-METHYLBENZENESULFONYL CHLORIDE;4-ACETYLAMINO-3-METHYL-BENZENESULFONYL CHLORIDE;4-(Acetylamino)-3-methyl-Benzenesulfonylchloride;Cyanomethylp-toluenesulfonate;SCHEMBL2626664;4-(ACETYLAMINO)-3-METHYLBENZENESULFONYL CHLORIDE;DTXSID00469274;GS3151;MFCD06797216;AKOS000162685;FT-0725026;A18224;4-acetylamino-3-methyl-benzenesulfonyl chloride, AldrichCPR

Suppliers and Price of 4-Acetamido-3-methylbenzene-1-sulfonyl chloride

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

TRC
4-acetylamino-3-methyl-benzenesulfonyl chloride
10mg
$ 45.00

Sigma-Aldrich
4-acetylamino-3-methyl-benzenesulfonyl chloride AldrichCPR
100 mg
$ 144.00

Total 10 raw suppliers

Chemical Property of 4-Acetamido-3-methylbenzene-1-sulfonyl chloride

Chemical Property:

Melting Point:159 °C
Boiling Point:416.3±38.0 °C(Predicted)
PKA:13.76±0.70(Predicted)
PSA：71.62000
Density:1.411±0.06 g/cm3(Predicted)
LogP:3.03470
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:247.0069920
Heavy Atom Count:15
Complexity:336

Purity/Quality:

97% ^*data from raw suppliers

4-acetylamino-3-methyl-benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)S(=O)(=O)Cl)NC(=O)C

Technology Process of 4-Acetamido-3-methylbenzene-1-sulfonyl chloride

There total 8 articles about 4-Acetamido-3-methylbenzene-1-sulfonyl chloride 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: 61.0%

: sodium 4-(acetylamino)-3-methylbenzenesulfonate

: 14988-21-7
4-(acetylamino)-3-methylbenzenesulfonyl chloride

Guidance literature:: With thionyl chloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2.5h;

Reference yield: 38.0%

: 4-acetamido-3-methylbenzenesulfonic acid

: 14988-21-7
4-(acetylamino)-3-methylbenzenesulfonyl chloride

Guidance literature:: 4-acetamido-3-methylbenzenesulfonic acid; With sodium hydroxide; In pyridine; at 20 ℃; for 3h;

With thionyl chloride; In N,N-dimethyl-formamide; at -30 - 40 ℃; for 2h;
DOI:10.1016/j.bmcl.2012.01.047

Reference yield:

: pyridinium 4-(acetylamino)-3-methylbenzenesulfonate

: 14988-21-7
4-(acetylamino)-3-methylbenzenesulfonyl chloride

Guidance literature:: pyridinium 4-(acetylamino)-3-methylbenzenesulfonate; With sodium hydroxide; at 20 ℃; for 5h;

With thionyl chloride; In N,N-dimethyl-formamide; at -10 ℃;
DOI:10.1016/j.ejmech.2021.113794