4-Ethylbenzene-1,3-dicarbonitrile

Base Information

• Chemical Name: 4-Ethylbenzene-1,3-dicarbonitrile
• CAS No.: 104614-58-6
• Molecular Formula: C10H8N2
• Molecular Weight: 156.187
• DSSTox Substance ID: DTXSID10548069
• Wikidata: Q82426658
• Mol file: 104614-58-6.mol

Synonyms:4-Ethylbenzene-1,3-dicarbonitrile;104614-58-6;SCHEMBL10824278;DTXSID10548069

Chemical Property of 4-Ethylbenzene-1,3-dicarbonitrile

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.068748264
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=C(C=C1)C#N)C#N

Technology Process of 4-Ethylbenzene-1,3-dicarbonitrile

There total 5 articles about 4-Ethylbenzene-1,3-dicarbonitrile 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: 62.0%

benzene-1,3-dicarbonitrile (626-17-5) + phenanthrene (85-01-8) + triethyl phosphite (122-52-1) → 1-ethyl-2,4-dicyanobenzene (104614-58-6) + diethyl phenanthrene-9-yl phosphonate (128757-82-4) + diethyl 1-phenanthrylphosphonate (128757-83-5) + diethyl (9,10-dihydro-9-phenanthryl)phosphonate (128757-84-6)

Guidance literature:

In acetonitrile; for 58h; Irradiation;

DOI:10.1246/bcsj.63.938

Reference yield: 26.0%

phenanthrene (85-01-8) → 9,10-dihydrophenanthrene (776-35-2) + 1-ethyl-2,4-dicyanobenzene (104614-58-6) + N,N-diethyl-9-amino-9,10-dihydrophenanthrene (106469-28-7)

Guidance literature:

With dimethyl amine; In water; acetonitrile; Irradiation;

Reference yield: 26.0%

benzene-1,3-dicarbonitrile (626-17-5) + diethylamine (109-89-7) → 9,10-dihydrophenanthrene (776-35-2) + 1-ethyl-2,4-dicyanobenzene (104614-58-6) + N,N-diethyl-9-amino-9,10-dihydrophenanthrene (106469-28-7)

Guidance literature:

With phenanthrene; In water; acetonitrile; Irradiation;

upstream raw materials:

phenanthrene

benzene-1,3-dicarbonitrile

diethylamine

triethyl phosphite

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