5-(Dimethylsulfamoyl)-2-[(2-hydroxyethyl)amino]benzoic acid

Base Information

• Chemical Name: 5-(Dimethylsulfamoyl)-2-[(2-hydroxyethyl)amino]benzoic acid
• CAS No.: 91431-32-2
• Molecular Formula: C₁₁H₁₆N₂O₅S
• Molecular Weight: 288.324
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50407000
• Wikidata: Q82212196
• Mol file: 91431-32-2.mol

Synonyms:91431-32-2;5-[(dimethylamino)sulfonyl]-2-[(2-hydroxyethyl)amino]benzoic acid;5-(dimethylsulfamoyl)-2-[(2-hydroxyethyl)amino]benzoic acid;5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic Acid;5-(N,N-Dimethylsulfamoyl)-2-((2-hydroxyethyl)amino)benzoic acid;DTXSID50407000;MFCD06655518;AKOS008987432;CS-0232710;EN300-12824;SR-01000065945;J-516589;SR-01000065945-1;Z85923156

Chemical Property of 5-(Dimethylsulfamoyl)-2-[(2-hydroxyethyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 4.46E-12mmHg at 25°C
• Boiling Point: 530.3°Cat760mmHg
• Flash Point: 274.5°C
• PSA: 115.32000
• Density: 1.434g/cm³
• LogP: 1.19310
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 288.07799279
• Heavy Atom Count: 19
• Complexity: 404

Purity/Quality:

98%Min ^*data from raw suppliers

5-(N,N-Dimethylsulfamoyl)-2-((2-hydroxyethyl)amino)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)O

Technology Process of 5-(Dimethylsulfamoyl)-2-[(2-hydroxyethyl)amino]benzoic acid

There total 2 articles about 5-(Dimethylsulfamoyl)-2-[(2-hydroxyethyl)amino]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:

2-chloro-5-(chlorosulfonyl)benzoic acid (137-64-4) → 5-Dimethylsulfamoyl-2-(2-hydroxy-ethylamino)-benzoic acid (91431-32-2)

Guidance literature:

Multi-step reaction with 2 steps

1: water

2: Heating

In water;

Reference yield:

2-chloro-5-dimethylsulfamoyl-benzoic acid (37088-27-0) + ethanolamine (141-43-5) → 5-Dimethylsulfamoyl-2-(2-hydroxy-ethylamino)-benzoic acid (91431-32-2)

Guidance literature:

Heating;

Reference yield:

methanol (67-56-1) + 5-Dimethylsulfamoyl-2-(2-hydroxy-ethylamino)-benzoic acid (91431-32-2) → 5-Dimethylsulfamoyl-2-(2-hydroxy-ethylamino)-benzoic acid methyl ester (91908-96-2)

Guidance literature:

With sulfuric acid; Heating;

upstream raw materials:

2-chloro-5-dimethylsulfamoyl-benzoic acid

ethanolamine

2-chloro-5-(chlorosulfonyl)benzoic acid

Downstream raw materials:

5-Dimethylsulfamoyl-2-(2-hydroxy-ethylamino)-benzoic acid methyl ester