N-(4-((4-Nitrophenyl)sulfonyl)phenyl)acetamide

Base Information

• Chemical Name: N-(4-((4-Nitrophenyl)sulfonyl)phenyl)acetamide
• CAS No.: 1775-37-7
• Molecular Formula: C14H12 N2 O5 S
• Molecular Weight: 320.326
• Hs Code.: 2924299090
• European Community (EC) Number: 634-020-1
• NSC Number: 30177
• DSSTox Substance ID: DTXSID10283165
• Nikkaji Number: J581.844C
• Wikidata: Q82017637
• ChEMBL ID: CHEMBL1354447
• Mol file: 1775-37-7.mol

Synonyms:1775-37-7;N-(4-((4-Nitrophenyl)sulfonyl)phenyl)acetamide;4-Nitro-4'-acetylaminodiphenyl Sulfone;N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide;N-{4-[(4-nitrophenyl)sulfonyl]phenyl}acetamide;Acetamide, N-[4-[(4-nitrophenyl)sulfonyl]phenyl]-;N-[4-[(4-Nitrophenyl)sulfonyl]phenyl]acetamide;NSC30177;MLS001196630;Acetamido-4'-nitrophenylsulfone;SCHEMBL3891683;CHEMBL1354447;DTXSID10283165;YRZGYZAAOZVGMI-UHFFFAOYSA-N;HMS2878H03;4-Nitro-4'-acetamidodiphenylsulfone;NSC-30177;AKOS001663401;4-[(p-Nitrophenyl)sulfonyl]acetanilide;SMR000556029;FT-0672743;N-(4-[(4-Nitrophenyl)sulfonyl]phenyl)acetamide #;N-[4-(4-Nitrobenzene-1-sulfonyl)phenyl]acetamide;SR-01000491579;J-011291;SR-01000491579-1;Z29382723

Chemical Property of N-(4-((4-Nitrophenyl)sulfonyl)phenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.73E-14mmHg at 25°C
• Melting Point: 225-228°C
• Boiling Point: 602.9°Cat760mmHg
• Flash Point: 318.4°C
• PSA: 117.44000
• Density: 1.438g/cm³
• LogP: 4.06300
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 320.04669266
• Heavy Atom Count: 22
• Complexity: 506

Purity/Quality:

4-Nitro-4’-acetylaminodiphenylSulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Uses: An intermediate in the synthesis of the Daspone metabolite.

Technology Process of N-(4-((4-Nitrophenyl)sulfonyl)phenyl)acetamide

There total 16 articles about N-(4-((4-Nitrophenyl)sulfonyl)phenyl)acetamide 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: 95.0%

4-amino-4'-nitrodiphenyl sulfide (101-59-7) + acetic anhydride (108-24-7) + acetic acid (64-19-7,77671-22-8) → N-[4-(4-Nitro-benzenesulfonyl)-phenyl]-acetamide (1775-37-7)

Guidance literature:

4-amino-4'-nitrodiphenyl sulfide; acetic anhydride; acetic acid; at 50 - 85 ℃; for 1h;

With sodium tungstate; dihydrogen peroxide; In water; at 85 ℃; for 4h;

With hydrogenchloride; In water; for 1h; Heating / reflux;

Reference yield:

4-acetylamino-4'-nitrodiphenyl sulfide (7467-51-8) → N-[4-(4-Nitro-benzenesulfonyl)-phenyl]-acetamide (1775-37-7)

Guidance literature:

With dihydrogen peroxide; acetic acid;

Reference yield:

4-amino-4'-nitrodiphenyl sulfide (101-59-7) → N-[4-(4-Nitro-benzenesulfonyl)-phenyl]-acetamide (1775-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid

2: potassium dichromate

With potassium dichromate; acetic acid;

DOI:10.1021/ja01265a060

upstream raw materials:

4-acetylamino-4'-nitrodiphenyl sulfide

1-[4-(4-nitro-benzenesulfonyl)-phenyl]-ethanone

4-(4-nitrophenylsulfonyl)aniline

acetic anhydride

Downstream raw materials:

acetic acid-[4-(N-ethyl-sulfanilyl)-anilide]

acedapsone

4-(4-nitrophenylsulfonyl)aniline

monoacetyldapsone