4-chloro-N-ethyl-3-nitrobenzenesulfonamide

Base Information

• Chemical Name: 4-chloro-N-ethyl-3-nitrobenzenesulfonamide
• CAS No.: 43041-67-4
• Molecular Formula: C8H9ClN2O4S
• Molecular Weight: 264.689
• NSC Number: 166885
• DSSTox Substance ID: DTXSID50304707
• Nikkaji Number: J30.816A
• Wikidata: Q82050840
• ChEMBL ID: CHEMBL297482
• Mol file: 43041-67-4.mol

Synonyms:4-chloro-N-ethyl-3-nitrobenzenesulfonamide;43041-67-4;CHEMBL297482;4-chloro-N-ethyl-3-nitrobenzene-1-sulfonamide;NSC166885;4-Chloro-N-ethyl-3-nitro-benzenesulfonamide;SCHEMBL6261490;DTXSID50304707;BDBM50101958;AKOS008940300;NSC-166885;CS-0350899;EN300-794478;F15579

Chemical Property of 4-chloro-N-ethyl-3-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 401.3°Cat760mmHg
• Flash Point: 196.5°C
• PSA: 100.37000
• Density: 1.467g/cm³
• LogP: 3.54130
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 263.9971556
• Heavy Atom Count: 16
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-N-ethyl-3-nitrobenzenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of 4-chloro-N-ethyl-3-nitrobenzenesulfonamide

There total 2 articles about 4-chloro-N-ethyl-3-nitrobenzenesulfonamide 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: 72.0%

3-nitro-4-chlorosulfonyl chloride (97-08-5) + ethanamine hydrochloride (557-66-4) → 4-chloro-N-ethyl-3-nitrobenzenesulfonamide (43041-67-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -40 - 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.5b01641

Reference yield: 72.0%

→ 4-chloro-N-ethyl-3-nitrobenzenesulfonamide (43041-67-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -40 - 20 ℃; for 1h;

Reference yield: 89.0%

4-chloro-N-ethyl-3-nitrobenzenesulfonamide (43041-67-4) + adamantan-2-amine hydrochloride (10523-68-9) → 4-(adamantan-2-ylamino)-N-ethyl-3-nitrobenzenesulfonamide

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 60 ℃; for 17h;

DOI:10.1021/acs.jmedchem.5b01641

upstream raw materials:

3-nitro-4-chlorosulfonyl chloride

ethanamine hydrochloride

Downstream raw materials:

4-[(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-5-yl) oxy]-N-ethyl-3-nitrobenzenesulfonamide

Refernces

• 1、 Hofmans, Sam,Berghe, Tom Vanden,Devisscher, Lars,Hassannia, Behrouz,Lyssens, Sophie,Joossens, Jurgen,Van Der Veken, Pieter,Vandenabeele, Peter,Augustyns, Koen. "Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties". . p. 2041 - 2053. Retrieved 2016/03/22.