4-Chloro-3-sulfamoylbenzoyl chloride

Base Information

• Chemical Name: 4-Chloro-3-sulfamoylbenzoyl chloride
• CAS No.: 70049-77-3
• Molecular Formula: C7H5Cl2NO3S
• Molecular Weight: 254.094
• Hs Code.: 2921499090
• European Community (EC) Number: 274-288-3
• UNII: 75ABC43Q8E
• DSSTox Substance ID: DTXSID00990290
• Nikkaji Number: J65.445K
• Wikidata: Q72459459
• Mol file: 70049-77-3.mol

Synonyms:4-chloro-3-sulfamoylbenzoyl chloride;70049-77-3;3-(Aminosulfonyl)-4-chlorobenzoyl chloride;4-Chloro-3-Sulfamoyl Benzoyl Chloride;700490-77-3;3-(Aminosulphonyl)-4-chlorobenzoyl chloride;4-chloro-3-sulfamoylbenzoylchloride;75ABC43Q8E;EINECS 274-288-3;3-sulfamoyl-4-chlorobenzoyl chloride;Indapamide Impurity;4-Chloro-3-sulfamoyl-benzoyl chloride;C7H5Cl2NO3S;Benzoyl chloride, 3-(aminosulfonyl)-4-chloro-;UNII-75ABC43Q8E;SCHEMBL940346;C7-H5-Cl2-N-O3-S;DTXSID00990290;SCYSJFKWFQZRJW-UHFFFAOYSA-N;BCP30671;MFCD08063955;4-chloro-3-sulphamoylbenzoyl chloride;AKOS015889664;AC-8118;CS-O-10628;AS-13460;A9259;FT-0602608;F71375;3-AMINOSULFONYL-4-CHLOROBENZOYL CHLORIDE;EN300-7375548;AN-652/43420873;W-109018;2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylicacid1,4a-lactone;3-(Aminosulfonyl)-4-chlorobenzoyl chloride pound>>4-Chloro-3-sulfamoylbenzoyl chloride

Chemical Property of 4-Chloro-3-sulfamoylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 2.04E-07mmHg at 25°C
• Melting Point: 158-160 °C
• Refractive Index: 1.599
• Boiling Point: 424.6°Cat760mmHg
• PKA: 9.23±0.60(Predicted)
• Flash Point: 210.6°C
• PSA: 85.61000
• Density: 1.621g/cm³
• LogP: 3.14750
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Acetontrile (Slightly), DMSO (slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.9367196
• Heavy Atom Count: 14
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-sulfamoylbenzoylChloride(>90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)N)Cl
• Uses: 4-Chloro-3-sulfamoylbenzoyl chloride is an intermediate used in the synthesis of indapamide, a diuretic used in the treatment of high blood pressure.

Technology Process of 4-Chloro-3-sulfamoylbenzoyl chloride

There total 2 articles about 4-Chloro-3-sulfamoylbenzoyl chloride 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: 95.52%

4-chloro-3-sulphamoylbenzoic acid (1205-30-7) → 3-(aminosulfonyl)-4-chlorobenzoyl chloride (70049-77-3)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

Reference yield:

3-sulfonyl-4-chloro benzoic acid → 3-(aminosulfonyl)-4-chlorobenzoyl chloride (70049-77-3)

Guidance literature:

Reference yield: 91.1%

3-(aminosulfonyl)-4-chlorobenzoyl chloride (70049-77-3) + 4-chloro-3-fluoroaniline (367-22-6) → 4-chloro-N-(4-chloro-3-fluorophenyl)-3-sulfamoylbenzamide

Guidance literature:

3-(aminosulfonyl)-4-chlorobenzoyl chloride; With N-ethyl-N,N-diisopropylamine; In dichloromethane; for 0.25h; Cooling with ice;

4-chloro-3-fluoroaniline; In dichloromethane; for 12h; Cooling with ice;

DOI:10.1016/j.ejmech.2021.113362

upstream raw materials:

4-chloro-3-sulphamoylbenzoic acid

Downstream raw materials:

4-chloro-N-(6-chloro-benzothiazol-2-yl)-3-sulfamoyl-benzamide

3-(4-chloro-3-sulfamoyl-benzoyl)-3,4-dihydro-1H-benzo[d][1,2]oxazine

1-(4-chloro-3-sulfamoylbenzoyl)-4-formylpiperazine

4-chloro-N-(3,4-dihydro-2H-quinolin-1-yl)-3-sulfamoyl-benzamide

Refernces

• 1、 -. "A 4 - chloro - N - substituted phenyl -3 - sulfonyl-amino amide compounds and their preparation and anti-tumor application (by machine translation)". Paragraph 0036; 0040; 0041. . Retrieved 2019/01/08.
• 2、 -. "NOVEL PIPERIDINE DERIVATIVE". Page/Page column 93. . Retrieved 2008/06/13.