2-Nitro-N,N-diphenylaniline

Base Information

• Chemical Name: 2-Nitro-N,N-diphenylaniline
• CAS No.: 53013-38-0
• Molecular Formula: C18H14N2O2
• Molecular Weight: 290.31600
• DSSTox Substance ID: DTXSID80554995
• Nikkaji Number: J2.694.256J
• Wikidata: Q82436202
• Mol file: 53013-38-0.mol

Synonyms:2-Nitro-N,N-diphenylaniline;53013-38-0;2-NITROPHENYL DIPHENYLAMINE;nitro-diphenylaniline;SCHEMBL5410066;DTXSID80554995;AKOS030255432

Chemical Property of 2-Nitro-N,N-diphenylaniline

Chemical Property:

• Melting Point: 92-94°C
• PSA: 49.06000
• LogP: 5.58780
• Solubility.: Acetone, Chloroform, Dichloromethane, Ether, Ethyl Acetate
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.105527694
• Heavy Atom Count: 22
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

2-NitrophenylDiphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]
• Uses: 2-Nitrophenyl Diphenylamine (cas# 53013-38-0) is a compound useful in organic synthesis.

Technology Process of 2-Nitro-N,N-diphenylaniline

There total 6 articles about 2-Nitro-N,N-diphenylaniline 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:

iodobenzene (591-50-4) + 2-nitro-N-phenylaniline (119-75-5) → N,N-diphenyl-N-(2-nitrophenyl)amine (53013-38-0)

Guidance literature:

With copper; potassium carbonate; potassium iodide; Reagens 4: Nitrobenzol;

DOI:10.1021/ja02254a016

Reference yield:

diphenylamine (122-39-4) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → N,N-diphenyl-N-(2-nitrophenyl)amine (53013-38-0)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 150 ℃; for 10h; Inert atmosphere;

DOI:10.1002/ejoc.201801037

Reference yield:

2-nitrophenyl bromide (577-19-5) + diphenylamine (122-39-4) → N,N-diphenyl-N-(2-nitrophenyl)amine (53013-38-0)

Guidance literature:

With copper(I) oxide; In N,N-dimethyl acetamide; for 2h; Heating;

DOI:10.1039/j39690000301

upstream raw materials:

iodobenzene

2-nitro-N-phenylaniline

2-nitrophenyl bromide

diphenylamine

Refernces

• 1、 Ito, Mamoru,Inoue, Daisuke,Takaki, Asahi,Kanyiva, Kyalo Stephen,Shibata, Takanori. "8-exo-dig-Selective Cycloisomerization for the Synthesis of Dibenzo[b,e][1,4]diazocines Using Cationic AuI Catalysts". supporting information. p. 4740 - 4747. Retrieved 2018/09/14.
• 2、 Maccarone, Emanuele,Passerini, Amedeo,Passerini, Riccardo,Tassone, Giuseppe. "REACTIVITY OF TRIPHENYL DERIVATIVES OF V-A GROUP ELEMENTS TOWARDS NITRIC ACID". . p. 545 - 548. Retrieved 2007/10/02.