2-Methoxy-6-nitrobenzonitrile

Base Information

• Chemical Name: 2-Methoxy-6-nitrobenzonitrile
• CAS No.: 38469-85-1
• Molecular Formula: C8H6N2O3
• Molecular Weight: 178.147
• Hs Code.: 2926909090
• European Community (EC) Number: 253-961-5
• NSC Number: 27010
• UNII: 5XEV79VYJ3
• DSSTox Substance ID: DTXSID40191789
• Nikkaji Number: J42.007G
• Wikidata: Q83064365
• Mol file: 38469-85-1.mol

Synonyms:2-Methoxy-6-nitrobenzonitrile;38469-85-1;6-Methoxy-2-nitrobenzonitrile;BENZONITRILE, 2-METHOXY-6-NITRO-;2-methoxy-6-nitro-benzonitrile;EINECS 253-961-5;NSC 27010;BRN 2213299;5XEV79VYJ3;NSC-27010;4-10-00-00267 (Beilstein Handbook Reference);NSC27010;2-Cyano-3-nitroanisole;UNII-5XEV79VYJ3;2-Methoxy-6-nitrobenzonitril;SCHEMBL2416277;DTXSID40191789;MFCD00053607;2-methoxy-6-nitro-benzenecarbonitrile;AKOS006274089;LS-38747;SY285806;AM20040339;FT-0655361;A824167

Chemical Property of 2-Methoxy-6-nitrobenzonitrile

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Melting Point: 173 °C
• Refractive Index: 1.563
• Boiling Point: 364.5 °C at 760 mmHg
• Flash Point: 174.3 °C
• PSA: 78.84000
• Density: 1.32 g/cm³
• LogP: 1.99828
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 178.03784206
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

2-nitro-6-methoxybenzonitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1C#N)[N+](=O)[O-]

Technology Process of 2-Methoxy-6-nitrobenzonitrile

There total 10 articles about 2-Methoxy-6-nitrobenzonitrile 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: 99.0%

2,6-dinitrobenzonitrile (35213-00-4) + sodium methylate (124-41-4) → 2-methoxy-6-nitrobenzonitrile (38469-85-1)

Guidance literature:

In methanol; for 3h; Reflux;

Reference yield: 67.0%

methanol (67-56-1) + 2,6-dinitrobenzonitrile (35213-00-4) → 2-methoxy-6-nitrobenzonitrile (38469-85-1)

Guidance literature:

With sodium methylate; In N,N-dimethyl-formamide; at 20 ℃; for 4.5h;

DOI:10.1021/jm061475p

Reference yield: 62.0%

methanol (67-56-1) + o-nitrobenzonitrile (612-24-8) → 2-methoxy-6-nitrobenzonitrile (38469-85-1)

Guidance literature:

With sodium persulfate; palladium diacetate; at 20 - 70 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo301384r

upstream raw materials:

methanol

meta-dinitrobenzene

potassium cyanide

2-methoxy-6-nitroaniline

Downstream raw materials:

meta-nitrophenol

2-amino-6-methoxybenzonitrile

2,6-dimethoxybenzonitrile

2-methoxy-6-nitro-benzoic acid amide

Refernces

• 1、 -. "SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS". Paragraph 1548. . Retrieved 2015/12/23.
• 2、 Gong, Gangli,Xie, Yuli,Liu, Yidong,Rinderspacher, Alison,Deng, Shi-Xian,Feng, Yan,Zhu, Zhengxiang,Tang, Yufei,Wyler, Michael,Aulner, Nathalie,Toebben, Udo,Smith, Deborah H.,Branden, Lars,Chung, Caty,Schuerer, Stephan,Vidovic, Dusica,Landry, Donald W.. "Discovery of novel small molecule cell type-specific enhancers of NF-κB nuclear translocation". scheme or table. p. 1191 - 1194. Retrieved 2009/08/07.