2-Imino-6-methyl-4,6-diphenylcyclohex-3-ene-1,1,3-tricarbonitrile

Base Information

• Chemical Name: 2-Imino-6-methyl-4,6-diphenylcyclohex-3-ene-1,1,3-tricarbonitrile
• CAS No.: 1508-06-1
• Molecular Formula: C₂₂H₁₆N₄
• Molecular Weight: 336.396
• DSSTox Substance ID: DTXSID40405318
• Mol file: 1508-06-1.mol

Synonyms:1508-06-1;3-Cyclohexene-1,1,3-tricarbonitrile, 2-imino-6-methyl-4,6-diphenyl-;2-imino-6-methyl-4,6-diphenylcyclohex-3-ene-1,1,3-tricarbonitrile;DTXSID40405318;AKOS001012363;AKOS016333570;Z56788161;1-imino-5-methyl-3,5-diphenyl-2-cyclohexene-2,6,6-tricarbonitrile;2-imino-6-methyl-4,6-diphenyl-3-cyclohexene-1,1,3-tricarbonitrile

Chemical Property of 2-Imino-6-methyl-4,6-diphenylcyclohex-3-ene-1,1,3-tricarbonitrile

Chemical Property:

• PSA: 95.22000
• LogP: 4.47844
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 336.137496527
• Heavy Atom Count: 26
• Complexity: 749

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=C(C(=N)C1(C#N)C#N)C#N)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 2-Imino-6-methyl-4,6-diphenylcyclohex-3-ene-1,1,3-tricarbonitrile

There total 2 articles about 2-Imino-6-methyl-4,6-diphenylcyclohex-3-ene-1,1,3-tricarbonitrile 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: 30.0%

2-(1-phenylethylidene)propanedinitrile (5447-87-0) + dimethyl acetylenedicarboxylate (762-42-5) → 2-Imino-6-methyl-4,6-diphenyl-cyclohex-3-en-1,1,3-tricarbonitril (1508-06-1) + 2-Amino-3,8-dicyan-5-methoxycarbonyl-4,7-diphenyl-5,6-dihydrochinol-5-yl-essigsaeuremethylester (112754-05-9)

Guidance literature:

With triethylamine; In methanol; for 2h; Ambient temperature;

Reference yield:

→ 2-Imino-6-methyl-4,6-diphenyl-cyclohex-3-en-1,1,3-tricarbonitril (1508-06-1)

Guidance literature:

Nicotinamid 1, entspr. monomeres Olefin;

upstream raw materials:

2-(1-phenylethylidene)propanedinitrile

dimethyl acetylenedicarboxylate