Benzonitrile, 2,6-dimethyl-4-nitro-

Base Information

• Chemical Name: Benzonitrile, 2,6-dimethyl-4-nitro-
• CAS No.: 31664-87-6
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.175
• Mol file: 31664-87-6.mol

Synonyms:2,6-Dimethyl-4-nitrobenzonitril;

Chemical Property of Benzonitrile, 2,6-dimethyl-4-nitro-

Chemical Property:

• PSA: 69.61000
• LogP: 2.60648

Purity/Quality:

95% ^*data from raw suppliers

2,6-Dimethyl-4-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 2,6-dimethyl-4-nitro-

There total 11 articles about Benzonitrile, 2,6-dimethyl-4-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: 53.0%

2,6-dimethyl-4-nitroaniline (16947-63-0) + copper(l) cyanide → 2-cyano-1,3-dimethyl-5-nitrobenzene (31664-87-6)

Guidance literature:

With potassium cyanide; tetrafluoroboric acid; tert-butyl nitrate; In acetonitrile; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.02.035

Reference yield: 46.0%

C14H13N3O2S (114650-62-3) → 5-nitro-m-xylene (99-12-7) + 2-cyano-1,3-dimethyl-5-nitrobenzene (31664-87-6) + 2,6-dimethyl-4-nitrophenyl (phenyl) sulfide (114660-00-3) + 2,4-dicyano-3,5-dimethylphenyl phenyl sulfide (114660-01-4)

Guidance literature:

With tetra-n-butylammonium cyanide; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86905-2

Reference yield: 41.0%

potassium cyanide + 2,6-dimethyl-4-nitroaniline (16947-63-0) → 2-cyano-1,3-dimethyl-5-nitrobenzene (31664-87-6)

Guidance literature:

2,6-dimethyl-4-nitroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; Inert atmosphere;

potassium cyanide; With copper(ll) sulfate pentahydrate; ammonia; In water; at 50 ℃; Inert atmosphere;

DOI:10.3987/COM-08-S(N)96

upstream raw materials:

2,6-dimethyl-4-nitrobenzonitrile N-oxide

tetra-n-butylammonium cyanide

C₁₄H₁₃N₃O₂S

2,6-Dimethyl-4-nitro-benzaldehyde

Downstream raw materials:

2,6-Dimethyl-4-nitro-benzaldehyde

2,6-dimethyl-4-nitrobenzoic acid chloride

α-Trityl-β,γ-di-(2,6-dimethyl-4-nitrobenzoyl)-glycerin

Di-(2,6-dimethyl-4-nitrobenzoyl)-glycerin-α-iod-hydrin

Refernces

• 1、 Tokunaga, Yuji,Kawamoto, Hajime,Ohsaki, Hiroshi,Kimura, Masaki,Miyagawa, Shinobu,Deguchi, Yasuaki,Kawasaki, Tsuneomi. "Multi-state molecular shuttling of a pair of [2]rotaxane in response to weak and strong acid and base stimuli". supporting information. p. 1667 - 1670. Retrieved 2015/03/14.
• 2、 Petrillo, Giovanni,Novi, Marino,Garbarino, Giacomo,Dell'erba, Carlo. "A CONVENIENT SRN1 SYNTHESIS OF AROMATIC NITRILES FROM DIAZONIUM SALTS VIA DIAZOSULFIDES". . p. 4625 - 4634. Retrieved 2007/10/02.