4-chloro-2-methyl-5-(methylsulfonyl)Benzoic acid

Base Information

Chemical Name:4-chloro-2-methyl-5-(methylsulfonyl)Benzoic acid
CAS No.:176309-00-5
Molecular Formula:C₉H₉ClO₄S
Molecular Weight:248.687
Hs Code.:
DSSTox Substance ID:DTXSID101237940
Nikkaji Number:J855.128F

Synonyms:4-chloro-2-methyl-5-(methylsulfonyl)Benzoic acid;176309-00-5;4-chloro-2-methyl-5-methylsulfonylbenzoic acid;4-chloro-5-methanesulfonyl-2-methylbenzoic acid;SCHEMBL6674304;YGYZEHXIHONBML-UHFFFAOYSA-N;DTXSID101237940;BHA30900;MFCD21099591;AKOS037646287;AS-67897;CS-0091367;FT-0724096;2-methyl-4-chloro-5-methylsulfonylbenzoic acid;W15947;2-Methyl-4-chloro-5-methylsulphonylbenzoic acid;4-chloro-2-methyl-5-(methylsulfonyl)Benzoicacid;2-Methyl-4-chloro-5-(methylsulfonyl)benzoic acid

Suppliers and Price of 4-chloro-2-methyl-5-(methylsulfonyl)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 4-chloro-2-methyl-5-(methylsulfonyl)Benzoic acid

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:247.9910076
Heavy Atom Count:15
Complexity:346

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)Cl

Technology Process of 4-chloro-2-methyl-5-(methylsulfonyl)Benzoic acid

There total 6 articles about 4-chloro-2-methyl-5-(methylsulfonyl)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: 67.0%

: 7499-07-2
4-chloro-2-methylbenzoic acid

: 74-88-4
methyl iodide

: 176309-00-5
2-methyl-4-chloro-5-methyl-sulfonylbenzoic acid

Guidance literature:: 4-chloro-2-methylbenzoic acid; With chlorosulfonic acid; at 15 - 115 ℃;

With hydrogenchloride; sodium hydroxide; sodium sulfite; In water; for 4h; pH=9 - 1;

methyl iodide; With sodium hydroxide; In methanol; water; at 40 ℃; pH=9;

Reference yield:

: 176308-95-5
methyl 2-methyl-4-chloro-5-methylsulphonylbenzoate

: 176309-00-5
2-methyl-4-chloro-5-methyl-sulfonylbenzoic acid

Guidance literature:: With hydrogenchloride; In methanol;

Reference yield:

: 7499-07-2
4-chloro-2-methylbenzoic acid

: 176309-00-5
2-methyl-4-chloro-5-methyl-sulfonylbenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: ClSO₃H / 6 h / 135 - 140 °C

2: aq. Na₂SO₃, aq. NaOH / 15 - 20 °C

3: aq. NaOH / methanol / 30 h / Heating

With chlorosulfonic acid; sodium hydroxide; sodium sulfite; In methanol;
DOI:10.1021/jm960768n