4-[2-[(5-Chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl chloride

Base Information

• Chemical Name: 4-[2-[(5-Chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
• CAS No.: 33924-54-8
• Molecular Formula: C16H15 Cl2 N O4 S
• Molecular Weight: 388.271
• Hs Code.: 2924299090
• European Community (EC) Number: 829-324-8
• DSSTox Substance ID: DTXSID60403457
• Nikkaji Number: J3.581.581C
• Wikidata: Q82207139
• Mol file: 33924-54-8.mol

Synonyms:33924-54-8;4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl chloride;4-(2-(5-Cholro-2-methoxy benzamido)ethyl)benzenesulfonyl chloride;4-{2-[(5-chloro-2-methoxyphenyl)formamido]ethyl}benzene-1-sulfonyl chloride;4-(2-[(5-chloro-2-methoxyphenyl)formamido]ethyl)benzene-1-sulfonyl chloride;Kepone(TM);C16H15Cl2NO4S;SCHEMBL3782645;DTXSID60403457;TQR0630;ISEOIHWYBXTSTC-UHFFFAOYSA-N;AMY15186;CS-0223878;FT-0649488;EN300-116899;A934065;4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzene-1-sulfonyl chloride;4-[2-(5-Chloro-2-methoxy-benzoylamino)-ethyl]-benzenesulfonyl chloride

Chemical Property of 4-[2-[(5-Chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.29E-11mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 537.3°C at 760 mmHg
• Flash Point: 278.7°C
• PSA: 80.85000
• Density: 1.388g/cm³
• LogP: 4.72030
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 387.0098845
• Heavy Atom Count: 24
• Complexity: 515

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)Cl

Technology Process of 4-[2-[(5-Chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl chloride

There total 6 articles about 4-[2-[(5-Chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl 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: 88.0%

DK13 (33924-49-1) → 4-(2-[(5-chloro-2-methoxyphenyl)formamido]ethyl)benzene-1-sulfonyl chloride (33924-54-8)

Guidance literature:

With chlorosulfonic acid; In chloroform; at 60 ℃; for 0.166667h; Sealed tube;

DOI:10.1021/acs.joc.6b02242

Reference yield: 79.0%

5-chloro-2-methoxy-N-(4-sulfamoylphenethyl)benzamide (16673-34-0) → 4-(2-[(5-chloro-2-methoxyphenyl)formamido]ethyl)benzene-1-sulfonyl chloride (33924-54-8)

Guidance literature:

With pyrylium tetrafluoroborate; magnesium chloride; In tert-butyl alcohol; at 60 ℃; for 3h;

DOI:10.1002/anie.201910895

Reference yield:

5-chloro-2-methoxybenzoic acid (3438-16-2) → 4-(2-[(5-chloro-2-methoxyphenyl)formamido]ethyl)benzene-1-sulfonyl chloride (33924-54-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine / dichloromethane / 1 h / 0 °C

1.2: 20 °C

2.1: chlorosulfonic acid / dichloromethane / 1 h / 100 °C / Cooling with acetone-dry ice

With chlorosulfonic acid; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In dichloromethane;

upstream raw materials:

5-chloro-2-methoxybenzoic acid

phenethylamine

DK₁₃

2-methoxy-5-chlorobenzoyl chloride

Downstream raw materials:

5-chloro-2-methoxy-N-(4-sulfamoylphenethyl)benzamide

4-[2-(5-Chloro-2-methoxy-benzoylamino)-ethyl]-benzenesulfonic acid

Glibenclamid

5-chloro-N-(2-[4-(hydroxysulfamoyl)phenyl]ethyl)-2-methoxybenzamide