2-Methoxy-5-nitrobenzonitrile

Base Information

• Chemical Name: 2-Methoxy-5-nitrobenzonitrile
• CAS No.: 10496-75-0
• Molecular Formula: C8H6 N2 O3
• Molecular Weight: 178.147
• Hs Code.: 2926909090
• European Community (EC) Number: 234-027-6
• DSSTox Substance ID: DTXSID00146876
• Nikkaji Number: J30.859E
• Wikidata: Q83011779
• Mol file: 10496-75-0.mol

Synonyms:2-Methoxy-5-nitrobenzonitrile;10496-75-0;2-methoxy-5-nitro-benzonitrile;Benzonitrile, 2-methoxy-5-nitro-;2-Cyano-4-nitroanisole;EINECS 234-027-6;5-nitro-2-methoxybenzonitrile;SCHEMBL6865120;DTXSID00146876;BBL015233;MFCD00035891;STK262285;2-methoxy-5-nitro-benzenecarbonitrile;AKOS000304696;AKOS015941377;SB30379;AM806847;DS-13648;CS-0012564;EN300-15567;Y10515;A801116;J-001299

Chemical Property of 2-Methoxy-5-nitrobenzonitrile

Chemical Property:

• Vapor Pressure: 9.44E-05mmHg at 25°C
• Boiling Point: 339°Cat760mmHg
• Flash Point: 158.8°C
• PSA: 78.84000
• Density: 1.32g/cm³
• LogP: 1.99828
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• 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:

98%,99%, ^*data from raw suppliers

2-Methoxy-5-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Technology Process of 2-Methoxy-5-nitrobenzonitrile

There total 34 articles about 2-Methoxy-5-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: 100.0%

2-methoxy-5-nitrobenzyl bromide (3913-23-3) → 2-methoxy-5-nitrobenzylnitrile (10496-75-0)

Guidance literature:

In ethanol; water;

Reference yield: 95.0%

2,5-Dinitrobenzonitrile (2112-24-5) + sodium methylate (124-41-4) → 2-methoxy-5-nitrobenzylnitrile (10496-75-0)

Guidance literature:

In methanol; Ambient temperature;

DOI:10.1021/jo00187a014

Reference yield: 88.0%

3,4-dimethoxynitrobenzene (709-09-1) + potassium cyanide (151-50-8) → 2-methoxy-5-nitrobenzylnitrile (10496-75-0)

Guidance literature:

In water; tert-butyl alcohol; at 18 ℃; for 1.16667h; Quantum yield; Irradiation;

upstream raw materials:

4-chloro-3-cyanonitrobenzene

sodium methylate

2-bromo-5-nitrobenzonitrile

3-amino-4-methoxynitrobenzene

Downstream raw materials:

2-Methoxy-3,5-dinitrobenzonitrile

2-methoxy-5-nitro-benzamide

5-amino-2-methoxybenzyl cyanide

5-nitrosalicylic acid

Refernces

• 1、 Gallardo, Iluminada,Guirado, Gonzalo,Marquet, Jordi. "Nucleophilic aromatic substitution for heteroatoms: An oxidative electrochemical approach". . p. 2548 - 2555. Retrieved 2002.
• 2、 Zhang, Ting-Jian,Li, Song-Ye,Zhang, Yi,Wu, Qing-Xia,Meng, Fan-Hao. "Design, synthesis, and biological evaluation of 5-(4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)benzonitrile derivatives as xanthine oxidase inhibitors". . p. 526 - 533. Retrieved 2017/10/23.
• 3、 -. "A class of 4, 5 - disubstituted imidazole derivatives and its preparation and use (by machine translation)". Paragraph 0109-0111. . Retrieved 2017/07/22.