4-Chloro-N-(4-methoxy-phenyl)-3-nitro-benzenesulfonamide

Base Information

• Chemical Name: 4-Chloro-N-(4-methoxy-phenyl)-3-nitro-benzenesulfonamide
• CAS No.: 30751-26-9
• Molecular Formula: C13H11 Cl N2 O5 S
• Molecular Weight: 342.75
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50407580
• Wikidata: Q72453357
• Mol file: 30751-26-9.mol

Synonyms:30751-26-9;4-Chloro-N-(4-methoxy-phenyl)-3-nitro-benzenesulfonamide;4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide;4-chloro-N-(4-methoxyphenyl)-3-nitrobenzene-1-sulfonamide;Benzenesulfonamide, 4-chloro-N-(4-methoxyphenyl)-3-nitro-;C13H11ClN2O5S;SCHEMBL6677229;DTXSID50407580;AKOS000115080;SB83399;CS-0218627;EN300-01556;Z45633899

Chemical Property of 4-Chloro-N-(4-methoxy-phenyl)-3-nitro-benzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.4E-10mmHg at 25°C
• Boiling Point: 505.6°Cat760mmHg
• Flash Point: 259.6°C
• PSA: 109.60000
• Density: 1.514g/cm³
• LogP: 4.73460
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 342.0077203
• Heavy Atom Count: 22
• Complexity: 482

Purity/Quality:

98.5% ^*data from raw suppliers

4-CHLORO-N-(4-METHOXY-PHENYL)-3-NITRO-BENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-N-(4-methoxy-phenyl)-3-nitro-benzenesulfonamide

There total 2 articles about 4-Chloro-N-(4-methoxy-phenyl)-3-nitro-benzenesulfonamide 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: 65.0%

3-nitro-4-chlorosulfonyl chloride (97-08-5) + 4-methoxy-aniline (104-94-9) → 4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide (30751-26-9)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acsinfecdis.1c00231

Reference yield:

→ 4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide (30751-26-9)

Guidance literature:

4-Chlor-3-nitro-benzolsulfochlorid, p-Anisidin, Acn., 50-55grad;

Reference yield: 87.0%

4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide (30751-26-9) → 3-amino-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide (325745-59-3)

Guidance literature:

With tin(II) chloride dihdyrate; In ethyl acetate; for 2h; Heating; Reflux;

DOI:10.1021/acsinfecdis.1c00231

upstream raw materials:

3-nitro-4-chlorosulfonyl chloride

4-methoxy-aniline

Downstream raw materials:

3-amino-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide

Refernces