6,7,8,9-Tetrahydro-5h-benzo[7]annulen-5-ylidenepropanedinitrile

Base Information

• Chemical Name: 6,7,8,9-Tetrahydro-5h-benzo[7]annulen-5-ylidenepropanedinitrile
• CAS No.: 14003-22-6
• Molecular Formula: C14H12 N2
• Molecular Weight: 208.263
• NSC Number: 109409
• DSSTox Substance ID: DTXSID50296451
• Mol file: 14003-22-6.mol

Synonyms:14003-22-6;6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidenepropanedinitrile;NSC109409;DTXSID50296451;NSC-109409

Chemical Property of 6,7,8,9-Tetrahydro-5h-benzo[7]annulen-5-ylidenepropanedinitrile

Chemical Property:

• Vapor Pressure: 5.54E-06mmHg at 25°C
• Boiling Point: 380.2°Cat760mmHg
• Flash Point: 181.6°C
• Density: 1.14g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=C(C#N)C#N)C2=CC=CC=C2C1

Technology Process of 6,7,8,9-Tetrahydro-5h-benzo[7]annulen-5-ylidenepropanedinitrile

There total 1 articles about 6,7,8,9-Tetrahydro-5h-benzo[7]annulen-5-ylidenepropanedinitrile 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: 89.5%

1-Benzosuberone (826-73-3) + malononitrile (109-77-3) → 5-dicyanomethylene-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one (14003-22-6)

Guidance literature:

With 3-amino propanoic acid; In ethanol; for 48h; Heating;

DOI:10.1002/jhet.5570170408

Reference yield: 85.0%

5-dicyanomethylene-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one (14003-22-6) + 2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide (42864-53-9) → 2-amino-4-(3,4,5-trimethoxy-phenyl)-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-1,3-dicarbonitrile

Guidance literature:

With triethylamine; In ethanol; for 8h; Heating;

DOI:10.1515/znb-2000-0511

Reference yield: 80.0%

5-dicyanomethylene-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one (14003-22-6) + 3-nitro-1-(p-toluenesulfonyl)indole (228412-76-8) → 9-amino-14-tosyl-1,2,3,14-tetrahydrobenzo[3,4]cyclohepta[1,2-a]carbazole-8-carbonitrile

Guidance literature:

With cetyltrimethylammonim bromide; caesium carbonate; In water; at 20 ℃; for 20h;

DOI:10.1016/j.tet.2020.131115

upstream raw materials:

1-Benzosuberone

malononitrile

Downstream raw materials:

6,7,8,9-tetrahydro-2-oxo-1H-benzazulene-1,9a-(2H)dicarboximide