Methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

Base Information

Chemical Name:Methyl 4-amino-5-methanesulfonyl-2-methylbenzoate
CAS No.:190368-28-6
Molecular Formula:C10H13NO4S
Molecular Weight:243.284
Hs Code.:
DSSTox Substance ID:DTXSID20442145
Wikidata:Q82259261
Mol file:190368-28-6.mol

Synonyms:methyl 4-amino-5-methanesulfonyl-2-methylbenzoate;190368-28-6;SCHEMBL2912709;DTXSID20442145;QBVGRWIWDJZYAP-UHFFFAOYSA-N;FT-0732596

Suppliers and Price of Methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

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 Methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:243.05652907
Heavy Atom Count:16
Complexity:360

Purity/Quality:: 99.90% ^*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)OC)S(=O)(=O)C)N

Technology Process of Methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

There total 8 articles about Methyl 4-amino-5-methanesulfonyl-2-methylbenzoate 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: 98.0%

: methyl 4-benzylamino-5-methylsulfonyl-2-methylbenzoate

: 190368-28-6
methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

Guidance literature:: With hydrogen; 5%-palladium/activated carbon; In methanol; for 4h;

Reference yield: 93.0%

: 67-56-1
methanol

: 190368-27-5
4-Amino-5-methanesulfonyl-2-methyl-benzoic acid

: 190368-28-6
methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

Guidance literature:: With hydrogenchloride; for 20h; Heating;
DOI:10.1021/jm960768n

Reference yield:

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

: 190368-28-6
methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

Guidance literature:: Multi-step reaction with 6 steps

1: ClSO₃H / 6 h / 135 - 140 °C

2: aq. Na₂SO₃, aq. NaOH / 15 - 20 °C

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

4: 88 percent / 4 h / 160 °C

5: 92 percent / H₂ / 10percent Pd/C / methanol / 3 h / 45 °C / 760 Torr

6: 93 percent / HCl / 20 h / Heating

With hydrogenchloride; chlorosulfonic acid; sodium hydroxide; hydrogen; sodium sulfite; palladium on activated charcoal; In methanol;
DOI:10.1021/jm960768n