Benzenamine, N,N-diethyl-2-methoxy-5-nitro-

Base Information

• Chemical Name: Benzenamine, N,N-diethyl-2-methoxy-5-nitro-
• CAS No.: 4513-19-3
• Molecular Formula: C11H16 N2 O3
• Molecular Weight: 224.2563
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID7063504
• Nikkaji Number: J421.726H
• Wikidata: Q81990784
• Mol file: 4513-19-3.mol

Synonyms:Benzenamine, N,N-diethyl-2-methoxy-5-nitro-;4513-19-3;DTXSID7063504;N,N-Diethyl-2-methoxy-5-nitrobenzenamine

Chemical Property of Benzenamine, N,N-diethyl-2-methoxy-5-nitro-

Chemical Property:

• Vapor Pressure: 0.000251mmHg at 25°C
• Boiling Point: 324.1°Cat760mmHg
• Flash Point: 149.8°C
• PSA: 58.29000
• Density: 1.142g/cm³
• LogP: 2.97280
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenamine, N,N-diethyl-2-methoxy-5-nitro-

There total 2 articles about Benzenamine, N,N-diethyl-2-methoxy-5-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: 94.0%

ethyl bromide (74-96-4) + 3-amino-4-methoxynitrobenzene (99-59-2) → 3-(diethylamino)-4-methoxynitrobenzene (4513-19-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 - 80 ℃;

Reference yield:

→ 3-(diethylamino)-4-methoxynitrobenzene (4513-19-3)

Guidance literature:

2-Methoxy-5-nitroanilin, EtOH, Ac2O, H2SO4;

Reference yield:

3-(diethylamino)-4-methoxynitrobenzene (4513-19-3) → 3-N,N-diethylamino-4-methoxy-aniline (4513-20-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 2h;

upstream raw materials:

ethyl bromide

3-amino-4-methoxynitrobenzene

Downstream raw materials:

3-N,N-diethylamino-4-methoxy-aniline

Refernces

• 1、 Watanabe, Tetsushi,Shiozawa, Tatsushi,Takahashi, Yoshifumi,Takahashi, Tomoyuki,Terao, Yoshiyasu,Nukaya, Haruo,Takamura, Takeji,Sawanishi, Hiroyuki,Ohe, Takeshi,Hirayama, Teruhisa,Wakabayashi, Keiji. "Mutagenicity of two 2-phenylbenzotriazole derivatives, 2-[2-(acetylamino)-4-(diethylamino)-5-methoxyphenyl]-5-amino- 7-bromo-4-chloro-2H-benzotriazole and 2-[2-(acetylamino)-4-(diallylamino)-5-methoxyphenyl]-5-amino-7-bromo-4-chloro-2H-benzotriazole and their detection in river water in Japan.". . p. 293 - 299. Retrieved 2008/04/18.