4,5-dimethyl-2-nitrobenzonitrile

Base Information

• Chemical Name: 4,5-dimethyl-2-nitrobenzonitrile
• CAS No.: 15089-77-7
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.175
• Mol file: 15089-77-7.mol

Synonyms:3,4-dimethyl-6-nitrobenzonitrile;3,4-Dimethyl-thiathiophthen;3,4-Dimethyl-6-nitrobenzonitril;2,3-dimethyl-6-nitrobenzonitrile;(1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv),3,4-dimethyl;4,5-Dimethyl-2-nitro-benzonitril;4,6-dimethyl-1;3,4-Dimethyl-6a-thiothiophthen;3,4-Dimethyl-6a-thiathiophthen;

Chemical Property of 4,5-dimethyl-2-nitrobenzonitrile

Chemical Property:

• PSA: 69.61000
• LogP: 2.60648

Purity/Quality:

95% ^*data from raw suppliers

4,5-dimethyl-2-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,5-dimethyl-2-nitrobenzonitrile

There total 8 articles about 4,5-dimethyl-2-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: 70.0%

sodium cyanide (143-33-9,25596-52-5) + 5,6-dimethyl-2,6-dinitrocyclohexa-2,4-dienyl methyl ether (99321-70-7) → 1,2-dicyano-4,5-p-tolylthiobenzene (36360-43-7) + 2,3-dimethyl-6-nitrobenzonitrile (15089-77-7)

Guidance literature:

In acetonitrile;

Reference yield: 13.0%

sodium cyanide (143-33-9,25596-52-5) + 5,6-dimethyl-2,6-dinitrocyclohexa-2,4-dienyl acetate (99321-75-2) → 4,5-dimethyl-1,2-dinitrobenzene (610-23-1) + 2,3-dimethyl-6-nitrobenzonitrile (15089-77-7)

Guidance literature:

18-crown-6 ether; In various solvent(s); at 0 ℃; for 0.5h;

Reference yield:

4-nitro-o-xylene (99-51-4,34527-23-6,156617-88-8) → 2,3-dimethyl-6-nitrobenzonitrile (15089-77-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium bromide / 48 h / 0 °C

2: 87 percent / 18-crown-6 / various solvent(s) / 0.5 h / 0 °C

With potassium bromide; 18-crown-6 ether; In various solvent(s);

upstream raw materials:

4,5-dimethyl-2-nitrobenzenamine

sodium cyanide

5,6-dimethyl-2,6-dinitrocyclohexa-2,4-dienyl methyl ether

5,6-dimethyl-2,6-dinitrocyclohexa-2,4-dienyl acetate

Downstream raw materials:

4,5-Dimethyl-2-nitrobenzoesaeure

2-amino-4,5-dimethylbenzoic acid

4,5-dimethyl-2-aminobenzonitrile