N-Nitroso-N-methyl-4-nitroaniline

Base Information

• Chemical Name: N-Nitroso-N-methyl-4-nitroaniline
• CAS No.: 943-41-9
• Molecular Formula: C7H7 N3 O3
• Molecular Weight: 181.151
• Hs Code.: 2928000090
• NSC Number: 528438
• UNII: MMT2K8VW9V
• DSSTox Substance ID: DTXSID4021002
• Nikkaji Number: J477.653D
• Wikidata: Q81983676
• ChEMBL ID: CHEMBL3186468
• Mol file: 943-41-9.mol

Synonyms:N-nitroso-N-methyl-4-nitroaniline;NMNA

Chemical Property of N-Nitroso-N-methyl-4-nitroaniline

Chemical Property:

• Vapor Pressure: 5.41E-06mmHg at 25°C
• Boiling Point: 380.5°Cat760mmHg
• Flash Point: 183.9°C
• PSA: 78.49000
• Density: 1.35g/cm³
• LogP: 2.23560
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-1-(4-NITROPHENYL)-2-OXOHYDRAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Nitroso-N-methyl-4-nitroaniline

There total 44 articles about N-Nitroso-N-methyl-4-nitroaniline 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: 98.0%

N,N-Dimethyl-4-nitroaniline (100-23-2) → N-methyl-N-nitroso-4-nitroaniline (943-41-9)

Guidance literature:

With tert.-butylnitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In acetonitrile; at 20 ℃; for 5h;

DOI:10.1039/c7gc02775c

Reference yield: 92.0%

N-methyl(p-nitroaniline) (100-15-2) → N-methyl-N-nitroso-4-nitroaniline (943-41-9)

Guidance literature:

With hydrogenchloride; 1-butyl-3-methylimidazolium nitrite; In water; at 5 - 25 ℃; for 0.533333h;

DOI:10.1007/BF03245916

Reference yield: 87.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) → N-methyl-N-nitrosoaniline (614-00-6) + N-methyl-N-nitroso-4-nitroaniline (943-41-9)

Guidance literature:

With n-Butyl nitrite; ammonium chloride; water; for 0.333333h; Heating; various amines, other time;

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

upstream raw materials:

pyridine

ethanol

tetranitromethane

N,N-dimethyl-aniline

Downstream raw materials:

N-methyl(p-nitroaniline)

1-phenyl-4-nitrobenzene

N-methyl-2,4-dinitroaniline

N-nitro-N-methyl-4-nitroaniline

Refernces

• 1、 Shang, Yaping,Jonnada, Krishna,Yedage, Subhash Laxman,Tu, Hua,Zhang, Xiaofeng,Lou, Xin,Huang, Shijun,Su, Weiping. "Rhodium(iii)-catalyzed indole synthesis at room temperature using the transient oxidizing directing group strategy". supporting information. p. 9547 - 9550. Retrieved 2019/08/15.
• 2、 Gao, Yang,Mao, Yuanyou,Zhang, Biwei,Zhan, Yingying,Huo, Yanping. "Regioselective nitration of anilines with Fe(NO3)3·9H2O as a promoter and a nitro source". supporting information. p. 3881 - 3884. Retrieved 2018/06/08.