1,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)-

Base Information

• Chemical Name: 1,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)-
• CAS No.: 31317-52-9
• Molecular Formula: C19H10N4
• Molecular Weight: 294.315
• DSSTox Substance ID: DTXSID80397869
• Mol file: 31317-52-9.mol

Synonyms:ChemDiv1_019419;31317-52-9;1,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)-;Oprea1_835092;DTXSID80397869

Chemical Property of 1,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 294.090546336
• Heavy Atom Count: 23
• Complexity: 634

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C=CC(=C(C#N)C#N)C#N

Technology Process of 1,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)-

There total 2 articles about 1,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)- 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:

1-(carbazol-9-yl)-2,2,3,3-tetracyanocyclobutane (26850-72-6) → hydrogen cyanide (74-90-8) + 9-(3,4,4-tricyano-1,3-butadiene-1-yl)carbazole (31317-52-9)

Guidance literature:

In acetonitrile; at 20 ℃; rate of formation of title compound; influence of the dielectric constant and the basity of solvent;

DOI:10.1007/BF00955760

Reference yield:

9-vinyl-9H-carbazole (1484-13-5,25067-59-8) + ethenetetracarbonitrile (670-54-2) → 9-(3,4,4-tricyano-1,3-butadienyl)carbazole (31317-52-9) + hydrogen cyanide (74-90-8) + 1-(carbazol-9-yl)-2,2,3,3-tetracyanocyclobutane (26850-72-6)

Guidance literature:

In 1,2-dimethoxyethane; water; Product distribution;

upstream raw materials:

9-vinyl-9H-carbazole

ethenetetracarbonitrile

1-(carbazol-9-yl)-2,2,3,3-tetracyanocyclobutane