2-Phenylpent-4-enenitrile

Base Information

• Chemical Name: 2-Phenylpent-4-enenitrile
• CAS No.: 5558-87-2
• Molecular Formula: C11H11N
• Molecular Weight: 157.215
• DSSTox Substance ID: DTXSID501295609
• Nikkaji Number: J374.485J
• Mol file: 5558-87-2.mol

Synonyms:2-phenyl-4-pentenenitrile;2-phenylpent-4-enenitrile;5558-87-2;a-allyl-phenylacetonitrile;2-phenyl-pent-4-enenitrile;4-Cyano-4-phenyl-1-butene;SCHEMBL4491007;UPGWWAVLPCHBAC-UHFFFAOYSA-N;DTXSID501295609;AKOS016023754;alpha-2-Propen-1-ylbenzeneacetonitrile

Chemical Property of 2-Phenylpent-4-enenitrile

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 157.089149355
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(C#N)C1=CC=CC=C1

Technology Process of 2-Phenylpent-4-enenitrile

There total 25 articles about 2-Phenylpent-4-enenitrile 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: 97.0%

N-Allyl-2-phenylethanamide (30160-48-6) → 2-phenylpent-4-enenitrile (5558-87-2)

Guidance literature:

With tetrachloromethane; triethylamine; triphenylphosphine; In dichloromethane; Ambient temperature;

DOI:10.1016/S0040-4039(00)60316-7

Reference yield: 95.0%

bromo-phenyl-acetonitrile (5798-79-8) → 2-phenylpent-4-enenitrile (5558-87-2)

Guidance literature:

In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)97186-8

Reference yield: 91.0%

diallylcarbonate (15022-08-9) + phenylacetonitrile (140-29-4) → 2-phenylpent-4-enenitrile (5558-87-2)

Guidance literature:

With 1,2-bis-(diphenylphosphino)ethane; Pd(dibenzylideneacetone)2 chloroform adduct; In tetrahydrofuran; at 65 ℃; for 2h;

DOI:10.1016/S0040-4039(00)85719-6

upstream raw materials:

allyl iodid

phenylacetonitrile

allyl bromide

N-Allyl-2-phenylethanamide

Downstream raw materials:

C₂₇H₂₇N₃O

C₂₆H₂₂F₃N₃O

C₂₃H₂₇N₃O

C₂₃H₂₅N₃O