2,2-Dimethylpent-4-enenitrile

Base Information

• Chemical Name: 2,2-Dimethylpent-4-enenitrile
• CAS No.: 2978-30-5
• Molecular Formula: C7H11 N
• Molecular Weight: 109.171
• NSC Number: 99205
• DSSTox Substance ID: DTXSID70294994
• Nikkaji Number: J1.001.237F
• Wikidata: Q82034646
• Mol file: 2978-30-5.mol

Synonyms:2,2-dimethylpent-4-enenitrile;2978-30-5;NSC99205;NCIOpen2_002121;SCHEMBL630803;DTXSID70294994;NSC-99205;BS-32232;EN300-221787;F2147-6066

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

Chemical Property:

• Vapor Pressure: 1.59mmHg at 25°C
• Boiling Point: 168.7°C at 760 mmHg
• Flash Point: 62.7°C
• Density: 0.823g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 109.089149355
• Heavy Atom Count: 8
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC=C)C#N

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

There total 17 articles about 2,2-Dimethylpent-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: 99.0%

Isobutyronitrile (78-82-0) + allyl bromide (106-95-6) → 2,2-dimethylpent-4-enenitrile (2978-30-5)

Guidance literature:

With lithium diethylamide; In diethyl ether; at 20 ℃;

DOI:10.1021/ja021177r

Reference yield: 93.0%

2,2-dimethyl-4-pentenal (5497-67-6) → 2,2-dimethylpent-4-enenitrile (2978-30-5)

Guidance literature:

With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1055/s-0029-1218388

Reference yield: 64.0%

N'-[2,2-Dimethyl-pent-4-en-(E)-ylidene]-N,N-dimethyl-hydrazine → 2,2-dimethylpent-4-enenitrile (2978-30-5)

Guidance literature:

With methyl chloroformate; In diethyl ether; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(98)00787-X

upstream raw materials:

Isobutyronitrile

diethyl ether

phenyllithium

diethylamine

Downstream raw materials:

2,2-dimethylpent-4-enoic acid

4,4-dimethyl-hept-6-en-3-one

2,2-dimethyl-4-phenyl-valeronitrile

dihydro-3,3-dimethyl-5-<(phenylseleno)methyl>-2(3H)-furanone