Ethyl 3-[(methylsulfonyl)amino]benzoate

Base Information

• Chemical Name: Ethyl 3-[(methylsulfonyl)amino]benzoate
• CAS No.: 93884-11-8
• Molecular Formula: C10H13NO4S
• Molecular Weight: 243.284
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10349992
• Wikidata: Q82125648
• Mol file: 93884-11-8.mol

Synonyms:ethyl 3-[(methylsulfonyl)amino]benzoate;93884-11-8;ethyl 3-(methanesulfonamido)benzoate;Ethyl 3-(methylsulfonamido)benzoate;ethyl 3-methanesulfonamidobenzoate;Oprea1_542985;SCHEMBL3560486;DTXSID10349992;WQODBAJDFZPKSG-UHFFFAOYSA-N;Ethyl3-(methylsulfonamido)benzoate;STK043467;AKOS000479923;TS-00734;CS-0316829;AB00111736-01;AN-652/42062641

Chemical Property of Ethyl 3-[(methylsulfonyl)amino]benzoate

Chemical Property:

• PSA: 80.85000
• LogP: 2.38860
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 243.05652907
• Heavy Atom Count: 16
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-[(Methylsulfonyl)amino]benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C

Technology Process of Ethyl 3-[(methylsulfonyl)amino]benzoate

There total 1 articles about Ethyl 3-[(methylsulfonyl)amino]benzoate 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: 65.0%

3-aminobenzoic acid ethyl ester (582-33-2) + methanesulfonyl chloride (124-63-0) → ethyl 3-(methylsulfonamido)benzoate (93884-11-8)

Guidance literature:

With silica gel; at 20 ℃;

DOI:10.1021/jo501910q

Reference yield: 90.0%

ethyl 3-(methylsulfonamido)benzoate (93884-11-8) → N-(3-hydroxymethylphenyl)methanesulfonamide (376347-09-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

ethyl 3-(methylsulfonamido)benzoate (93884-11-8) + acetonitrile (75-05-8,26809-02-9) → C10H10N2O3S (1217088-68-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2009.12.070

upstream raw materials:

3-aminobenzoic acid ethyl ester

methanesulfonyl chloride

Downstream raw materials:

3-(methanesulfonamido)benzoic acid

ethyl 3-(N-methylmethanesulphonamido)benzoate

N-(3-{[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-ethylamino]-methyl}-phenyl)-methanesulfonamide

N-[2-Acetyl-4-(3,4-dihydroxy-phenyl)-1,2,3,4-tetrahydro-isoquinolin-7-yl]-methanesulfonamide