3-(dimethylsulfamoyl)benzoic Acid

Base Information

• Chemical Name: 3-(dimethylsulfamoyl)benzoic Acid
• CAS No.: 7326-73-0
• Molecular Formula: C9H11NO4S
• Molecular Weight: 229.257
• Hs Code.: 2935009090
• European Community (EC) Number: 819-079-5
• DSSTox Substance ID: DTXSID20407259
• Wikidata: Q72472091
• Mol file: 7326-73-0.mol

Synonyms:7326-73-0;3-(N,N-Dimethylsulfamoyl)benzoic acid;3-(dimethylsulfamoyl)benzoic Acid;3-Dimethylsulfamoyl-benzoic acid;3-Dimethylsulfamoylbenzoic acid;3-[(Dimethylamino)sulfonyl]benzenecarboxylic acid;3-(Dimethylsulphamoyl)benzoic acid;3-[(dimethylamino)sulfonyl]benzoic acid;MFCD02708231;Benzoic acid, 3-[(dimethylamino)sulfonyl]-;Oprea1_119017;SCHEMBL35185;DTXSID20407259;ZYUAOEFMKIYOPZ-UHFFFAOYSA-N;HMS1605C10;3-(dimethylsulfamoyl)-benzoic acid;TERT-BUTYL5-HYDROXYNICOTINATE;3-(N,N-Dimethylsulfamoyl)benzoicacid;AKOS000114647;LB-0714;SY081687;BB 0237866;CS-0151273;FT-0681180;EN300-00294;C76336;A866119;J-510913;Z53038369;3-diMethylsulfaMoyl-benzoicacid

Chemical Property of 3-(dimethylsulfamoyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 1.06E-07mmHg at 25°C
• Melting Point: 174-176°
• Boiling Point: 417.1 °C at 760 mmHg
• PKA: 3.69±0.10(Predicted)
• Flash Point: 206 °C
• PSA: 83.06000
• Density: 1.368 g/cm³
• LogP: 1.71590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.04087901
• Heavy Atom Count: 15
• Complexity: 331

Purity/Quality:

99%, ^*data from raw suppliers

3-Dimethylsulfamoylbenzoicacid ^*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=CC(=C1)C(=O)O
• Uses: 3-Dimethylsulfamoylbenzoic acid

Technology Process of 3-(dimethylsulfamoyl)benzoic Acid

There total 3 articles about 3-(dimethylsulfamoyl)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: 91.0%

3-Carboxybenzenesulfonyl chloride (4025-64-3) + dimethyl amine (124-40-3) → 3-<(Dimethylamino)sulfonyl>benzoic Acid (7326-73-0)

Guidance literature:

With ammonia; In water; ethyl acetate; at 0 ℃; for 0.5h;

DOI:10.1002/cmdc.201500235

Reference yield: 90.6%

→ 3-<(Dimethylamino)sulfonyl>benzoic Acid (7326-73-0)

Guidance literature:

In water; ethyl acetate; at 0 ℃; for 0.5h;

Reference yield:

benzoic acid (65-85-0,8013-63-6) → 3-<(Dimethylamino)sulfonyl>benzoic Acid (7326-73-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HClSO₃

With chlorosulfonic acid;

DOI:10.1016/j.tet.2004.03.015

upstream raw materials:

3-Carboxybenzenesulfonyl chloride

dimethyl amine

benzoic acid

Downstream raw materials:

3-<(Dimethylamino)sulfonyl>benzoic Acid Ethyl Ester

m-dimethylamino-sulfonyl-benzoyl chloride

3-<(Dimethylamino)sulfonyl>benzoic Acid Hydrazide

3-(1,3,4-Oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide

Refernces

• 1、 -. "NEW FYN AND VEGFR2 KINASE INHIBITORS". Page/Page column 38; 39. . Retrieved 2021/06/22.
• 2、 Zhou, Yang,Li, Yan,Wang, Wen-Jing,Xiang, Pu,Luo, Xin-Mei,Yang, Li,Yang, Sheng-Yong,Zhao, Ying-Lan. "Synthesis and biological evaluation of novel (E)-N′-(2,3-dihydro-1H-inden-1-ylidene) benzohydrazides as potent LSD1 inhibitors". . p. 4552 - 4557. Retrieved 2016/08/24.