CARBAMIC ACID, N-(p-CHLOROBENZENESULFONYL)-, ETHYL ESTER

Base Information

• Chemical Name: CARBAMIC ACID, N-(p-CHLOROBENZENESULFONYL)-, ETHYL ESTER
• CAS No.: 13945-53-4
• Molecular Formula: C9H10ClNO4S
• Molecular Weight: 263.702
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40161048
• Nikkaji Number: J42.929E
• Wikidata: Q83029412
• Mol file: 13945-53-4.mol

Synonyms:13945-53-4;ethyl N-(4-chlorophenyl)sulfonylcarbamate;CARBAMIC ACID, N-(p-CHLOROBENZENESULFONYL)-, ETHYL ESTER;BRN 2379919;N-(4-Chlorbenzolsulfonyl)-aethylurethan [German];N-(4-Chlorbenzolsulfonyl)-aethylurethan;Oprea1_713527;SCHEMBL9128141;DTXSID40161048;ethyl (4-chlorophenyl)sulfonylcarbamate;Ethyl [(4-chlorophenyl)sulfonyl]carbamate;LS-49126;FT-0730729;ETHYL N-(4-CHLOROBENZENESULFONYL)CARBAMATE;SR-01000025727;SR-01000025727-1;N-[(4-Chlorophenyl)sulfonyl]carbamic acid ethyl ester;Carbamic acid, [(4-chlorophenyl)sulfonyl]-, ethyl ester

Chemical Property of CARBAMIC ACID, N-(p-CHLOROBENZENESULFONYL)-, ETHYL ESTER

Chemical Property:

• PSA: 84.34000
• Density: 1.399g/cm³
• LogP: 3.06000
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 263.0019067
• Heavy Atom Count: 16
• Complexity: 330

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL (4-CHLOROPHENYL)SULFONYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl

Technology Process of CARBAMIC ACID, N-(p-CHLOROBENZENESULFONYL)-, ETHYL ESTER

There total 6 articles about CARBAMIC ACID, N-(p-CHLOROBENZENESULFONYL)-, ETHYL ESTER 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: 88.1%

4-Chlorobenzenesulfonamide (98-64-6) + chloroformic acid ethyl ester (541-41-3) → 4-chlorobenzenesulfonamide methanoic acid ethyl ester (13945-53-4)

Guidance literature:

With potassium carbonate; In acetone; for 15h; Reflux;

Reference yield:

p-chlorophenylsulfinyl chloride (2901-92-0) → 4-chlorobenzenesulfonamide methanoic acid ethyl ester (13945-53-4)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: aq. KOH

With potassium hydroxide; In benzene;

Reference yield:

4-chlorobenzenesulfonyl chloride (98-60-2) → 4-chlorobenzenesulfonamide methanoic acid ethyl ester (13945-53-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium hydroxide / dichloromethane / 2 h / 0 - 20 °C

2: potassium carbonate / acetone / 15 h / Reflux

With ammonium hydroxide; potassium carbonate; In dichloromethane; acetone;

upstream raw materials:

4-Chlor-benzolsulfonsaeure-chlorid-aethoxycarbonylamid

p-chlorophenylsulfinyl chloride

4-Chlorobenzenesulfonamide

chloroformic acid ethyl ester

Downstream raw materials:

N-(4-chloro-benzenesulfonyl)-N'-(3-methylsulfanyl-propyl)-urea

4-chloro-N-(ethylcarbamoyl)benzenesulfonamide

N-(butylcarbamoyl)-4-chlorobenzenesulfonamide

N-(4-chloro-benzenesulfonyl)-N'-cyclohexylmethyl-urea