2,2-Diethylpent-4-enenitrile

Base Information

• Chemical Name: 2,2-Diethylpent-4-enenitrile
• CAS No.: 59346-54-2
• Molecular Formula: C9H15N
• Molecular Weight: 137.225
• European Community (EC) Number: 261-712-7
• DSSTox Substance ID: DTXSID90208093
• Nikkaji Number: J308.669K
• Wikidata: Q83082183
• Mol file: 59346-54-2.mol

Synonyms:2,2-Diethylpent-4-enenitrile;59346-54-2;EINECS 261-712-7;2,2-Diethyl-4-pentenenitrile;SCHEMBL11331326;DTXSID90208093;4-Pentenenitrile, 2,2-diethyl-

Chemical Property of 2,2-Diethylpent-4-enenitrile

Chemical Property:

• Vapor Pressure: 0.184mmHg at 25°C
• Boiling Point: 211.3°C at 760 mmHg
• Flash Point: 87.9°C
• PSA: 23.79000
• Density: 0.828g/cm³
• LogP: 2.89248
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 137.120449483
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)(CC=C)C#N

Technology Process of 2,2-Diethylpent-4-enenitrile

There total 16 articles about 2,2-Diethylpent-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:

2-ethyl-butyronitrile (617-80-1) + allyl bromide (106-95-6) → 2,2-diethyl-pent-4-enenitrile (59346-54-2)

Guidance literature:

With diethyl ether; sodium ethyl;

Reference yield:

2-ethyl-butyronitrile (617-80-1) + 3-chloroprop-1-ene (107-05-1) → 2,2-diethyl-pent-4-enenitrile (59346-54-2)

Guidance literature:

With diethyl ether; sodium ethyl;

Reference yield:

allyl bromide (106-95-6) → 2,2-diethyl-pent-4-enenitrile (59346-54-2)

Guidance literature:

With diethyl ether;

upstream raw materials:

diethyl ether

2-ethyl-butyronitrile

butylsodium

ethyl sodium

Downstream raw materials:

pantothenic acid

Refernces