Aniline, N-(2-(diethylamino)ethyl)-2-nitro-

Base Information

• Chemical Name: Aniline, N-(2-(diethylamino)ethyl)-2-nitro-
• CAS No.: 40516-95-8
• Molecular Formula: C12H19N3O2
• Molecular Weight: 237.302
• NSC Number: 135988
• UNII: 52UHH5Z5EM
• DSSTox Substance ID: DTXSID60193528
• Mol file: 40516-95-8.mol

Synonyms:40516-95-8;ANILINE, N-(2-(DIETHYLAMINO)ETHYL)-2-NITRO-;NSC 135988;BRN 2124692;N-(2-Diethylaminoethyl)-2-nitroaniline;52UHH5Z5EM;NSC-135988;4-12-00-01586 (Beilstein Handbook Reference);NSC135988;UNII-52UHH5Z5EM;SCHEMBL8985609;DTXSID60193528;AKOS005209258;LS-19709;N-[2-(diethylamino)ethyl]-2-nitroaniline;F1911-3516;1,2-ETHANEDIAMINE, N1,N1-DIETHYL-N2-(2-NITROPHENYL)-;N1,N1-DIETHYL-N2-(2-NITROPHENYL)-1,2-ETHANEDIAMINE

Chemical Property of Aniline, N-(2-(diethylamino)ethyl)-2-nitro-

Chemical Property:

• Boiling Point: 369.6°Cat760mmHg
• Flash Point: 177.3°C
• Density: 1.127g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 237.147726857
• Heavy Atom Count: 17
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCNC1=CC=CC=C1[N+](=O)[O-]

Technology Process of Aniline, N-(2-(diethylamino)ethyl)-2-nitro-

There total 8 articles about Aniline, N-(2-(diethylamino)ethyl)-2-nitro- 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:

N,N-diethylethylenediamine (100-36-7) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → N,N-diethyl-N'-(2-nitro-phenyl)-ethylenediamine (40516-95-8)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1016/j.bmcl.2010.03.092

Reference yield:

N-(2-chloroethyl)-2-nitroaniline (18505-77-6) + diethylamine (109-89-7) → N,N-diethyl-N'-(2-nitro-phenyl)-ethylenediamine (40516-95-8)

Guidance literature:

With benzene; at 130 ℃;

Reference yield:

N,N-diethylethylenediamine (100-36-7) → N,N-diethyl-N'-(2-nitro-phenyl)-ethylenediamine (40516-95-8)

Guidance literature:

In ethanol; Reflux;

DOI:10.1021/acschemneuro.1c00064

upstream raw materials:

toluene-4-sulfonic acid-[N-(2-diethylamino-ethyl)-2-nitro-anilide]

2-Chloronitrobenzene

N,N-diethylethylenediamine

N-(2-chloroethyl)-2-nitroaniline

Downstream raw materials:

metodesnitazene hydrochloride

N-(2-diethylamino-ethyl)-benzene-1,2-diamine

Refernces

• 1、 Yao, Bing-Lei,Mai, Yan-Wen,Chen, Shuo-Bin,Xie, Hua-Ting,Yao, Pei-Fen,Ou, Tian-Miao,Tan, Jia-Heng,Wang, Hong-Gen,Li, Ding,Huang, Shi-Liang,Gu, Lian-Quan,Huang, Zhi-Shu. "Design, synthesis and biological evaluation of novel 7-alkylamino substituted benzo[ a[phenazin derivatives as dual topoisomerase I/II inhibitors". . p. 540 - 553. Retrieved 2015/01/30.
• 2、 Winkelmann,Raether,Dittmar,et al.. "Chemotherapeutically active nitro compounds. I. Nitroanilines". . p. 681 - 708. Retrieved 2007/10/05.