N-Ethyl-N-(4-nitrophenyl)nitrous amide

Base Information

• Chemical Name: N-Ethyl-N-(4-nitrophenyl)nitrous amide
• CAS No.: 945-81-3
• Molecular Formula: C8H9N3O3
• Molecular Weight: 195.178
• DSSTox Substance ID: DTXSID30561538
• Nikkaji Number: J1.274.619I
• Wikidata: Q82445381
• Mol file: 945-81-3.mol

Synonyms:945-81-3;N-Ethyl-N-(4-nitrophenyl)nitrous amide;N-ethyl-4-nitro-N-nitrosoaniline;N-Nitroso-N-ethyl-4-nitroaniline;SCHEMBL10792835;DTXSID30561538

Chemical Property of N-Ethyl-N-(4-nitrophenyl)nitrous amide

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 195.06439116
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Ethyl-N-(4-nitrophenyl)nitrous amide

There total 16 articles about N-Ethyl-N-(4-nitrophenyl)nitrous amide 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: 72.4%

N-methyl-N-ethylaniline (613-97-8) → N-nitroso N-ethyl-N-(4-nitroaniline) (945-81-3) + N-methyl-N-nitrosoaniline (614-00-6) + N-ethyl-N-nitrosoaniline (612-64-6) + N-methyl-N-nitroso-4-nitroaniline (943-41-9)

Guidance literature:

With n-Butyl nitrite; ammonium chloride; water; for 0.333333h; Heating;

DOI:10.1016/S0040-4020(01)81940-2

Reference yield: 69.0%

N-ethyl-N-phenylamine (103-69-5) → N-nitroso N-ethyl-N-(4-nitroaniline) (945-81-3) + N-nitroso N-ethyl-N-(2-nitroaniline) (64918-60-1)

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 20 - 80 ℃; regioselective reaction;

DOI:10.1021/acs.joc.8b02377

Reference yield: 67.0%

N-ethyl-N-methyl-4-nitrobenzeneamine (56269-48-8) → N-nitroso N-ethyl-N-(4-nitroaniline) (945-81-3) + N-methyl-N-nitroso-4-nitroaniline (943-41-9)

Guidance literature:

With n-Butyl nitrite; ammonium chloride; water; for 0.333333h; Heating;

DOI:10.1016/S0040-4020(01)81940-2

upstream raw materials:

N-ethyl-N-nitrosoaniline

4-(diethylamino)benzoic acid

N,N-diethyl-4-nitrosoaniline

N-ethyl-N-phenylamine

Downstream raw materials:

2,4-dinitro-N-ethylaniline

N-Ethyl-4-nitroanilin

4-amino-1-(N-ethylamino)benzene