5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl chloride

Base Information

• Chemical Name: 5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl chloride
• CAS No.: 166964-34-7
• Molecular Formula: C12H9Cl2NO3S2
• Molecular Weight: 350.24
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20370898
• Wikidata: Q82158071
• Mol file: 166964-34-7.mol

Synonyms:166964-34-7;5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl chloride;5-(4-Chlorobenzamidomethyl)thiophene-2-sulphonyl chloride;5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl Chloride;5-{[(4-Chlorobenzoyl)amino]methyl}thiophene-2-sulfonyl chloride;2-Thiophenesulfonyl chloride, 5-[[(4-chlorobenzoyl)amino]methyl]-;5-[(4-Chlorobenzamido)methyl]thiophene-2-sulfonyl chloride;Bambuterolhydrochloride;SCHEMBL924672;DTXSID20370898;5-{[(4-chlorophenyl)formamido]methyl}thiophene-2-sulfonyl chloride;MFCD00084934;AKOS009158168;FT-0619912;A810803;J-516613;5-(4-chloro-benzamidomethyl)thiophene-2-sulphonyl chloride;5-(4-CHLOROBENZAMIDOMETHYL)THIOPHENE-2-SULFONYL CHLORIDE;5-({[1-(4-Chloro-phenyl)-methanoyl]-amino}-methyl)-thiophene-2-sulfonyl chloride

Chemical Property of 5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.91E-12mmHg at 25°C
• Melting Point: 138 °C
• Refractive Index: 1.627
• Boiling Point: 557.1 °C at 760 mmHg
• Flash Point: 290.7 °C
• PSA: 99.86000
• Density: 1.532 g/cm³
• LogP: 4.73070
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 348.9400909
• Heavy Atom Count: 20
• Complexity: 444

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-CHLOROBENZAMIDOMETHYL)THIOPHENE-2-SULPHONYL CHLORIDE 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 22
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl)Cl

Technology Process of 5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl chloride

There total 2 articles about 5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl 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:

2-Aminomethylthiophene (27757-85-3) → 5-({[1-(4-Chloro-phenyl)-methanoyl]-amino}-methyl)-thiophene-2-sulfonyl chloride (166964-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / iPr₂NEt / CH₂Cl₂ / 0 - 20 °C

2: 63 percent / ClSO₃H / CH₂Cl₂ / 5 h / -80 - 20 °C

With chlorosulfonic acid; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1021/jm031112e

Reference yield:

4-chloro-benzoyl chloride (122-01-0) → 5-({[1-(4-Chloro-phenyl)-methanoyl]-amino}-methyl)-thiophene-2-sulfonyl chloride (166964-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / iPr₂NEt / CH₂Cl₂ / 0 - 20 °C

2: 63 percent / ClSO₃H / CH₂Cl₂ / 5 h / -80 - 20 °C

With chlorosulfonic acid; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1021/jm031112e

Reference yield: 88.0%

5-({[1-(4-Chloro-phenyl)-methanoyl]-amino}-methyl)-thiophene-2-sulfonyl chloride (166964-34-7) + 4-(3-chloro-5-trifluoromethylpyridin-2-ylamino)butyric acid hydrazide (332361-09-8) → C22H20Cl2F3N5O4S2

Guidance literature:

With pyridine; In chloroform; for 3h; Heating;

DOI:10.1021/jm031112e

upstream raw materials:

2-Aminomethylthiophene

4-chloro-benzoyl chloride

Downstream raw materials:

[5-({[-(4-Chloro-phenyl)-methanoyl]-amino}-methyl)-thiophene-2-sulfonylamino]-acetic acid tert-butyl ester

Refernces