1,1-Cyclohexanedicarbonitrile

Base Information

• Chemical Name: 1,1-Cyclohexanedicarbonitrile
• CAS No.: 5222-53-7
• Molecular Formula: C8H10 N2
• Molecular Weight: 134.181
• Hs Code.: 2926909090
• Mol file: 5222-53-7.mol

Synonyms:1,1-Cyclohexanedicarbonitrile;

Chemical Property of 1,1-Cyclohexanedicarbonitrile

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 47.58000
• Density: 1.286g/cm³
• LogP: 1.98406

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,1-Cyclohexanedicarbonitrile

There total 7 articles about 1,1-Cyclohexanedicarbonitrile 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: 95.0%

1,5-dibromo-pentane (111-24-0) + malononitrile (109-77-3) → cyclohexane-1,1-dicarbonitrile (5222-53-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetasy.2012.02.021

Reference yield: 29.0%

1,5-dibromo-pentane (111-24-0) + malononitrile (109-77-3) → cyclohexane-1,1-dicarbonitrile (5222-53-7) + (5-bromopentyl)malononitrile (138715-19-2) + heptane-1,1,7,7-tetracarbonitrile (138715-21-6)

Guidance literature:

With potassium tert-butylate; tetrabutylammomium bromide; for 0.166667h; Ambient temperature;

Reference yield:

3-iodocyclohexane-1,1-dicarbonitrile (152841-01-5) → cyclohexane-1,1-dicarbonitrile (5222-53-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃;

upstream raw materials:

1,5-dibromo-pentane

malononitrile

3-iodocyclohexane-1,1-dicarbonitrile

(pent-4-enyl)propanedinitrile

Downstream raw materials:

1,1-bis(aminomethyl)cyclohexane

1'-hydroxy-[1,1'-bi(cyclohexane)]-1-carbonitrile

(S)-4,5-dihydro-2-(1-((S)-4,5-dihydro-4-isopropyloxazol-2-yl)cyclohexyl)-4-isopropyloxazole

4-(1-cyanocyclohexyl)benzonitrile

Refernces

• 1、 Mizuhara, Tsukasa,Oishi, Shinya,Ohno, Hiroaki,Fujii, Nobutaka,Shimura, Kazuya,Matsuoka, Masao. "Structure-activity relationship study of pyrimido[1,2-c][1,3]benzothiazin- 6-imine derivatives for potent anti-HIV agents". supporting information. p. 6434 - 6441,8. Retrieved 2012/12/12.
• 2、 -. "SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS". Page/Page column 23. . Retrieved 2008/06/13.