3-Ethyl-3-phenylvaleronitrile

Base Information

Chemical Name:3-Ethyl-3-phenylvaleronitrile
CAS No.:73840-27-4
Molecular Formula:C₁₃H₁₇N
Molecular Weight:187.285
Hs Code.:
DSSTox Substance ID:DTXSID40224400
Nikkaji Number:J96.715G
Wikidata:Q83102983
Mol file:73840-27-4.mol

Synonyms:3-Ethyl-3-phenylvaleronitrile;Valeronitrile, 3-ethyl-3-phenyl-;73840-27-4;DTXSID40224400;LS-161214;Benzenepropanenitrile, .beta.,.beta.-diethyl-

Suppliers and Price of 3-Ethyl-3-phenylvaleronitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 3-Ethyl-3-phenylvaleronitrile

Chemical Property:

Vapor Pressure:0.000694mmHg at 25°C
Boiling Point:308.1°Cat760mmHg
Flash Point:145.8°C
PSA：23.79000
Density:0.94g/cm³
LogP:3.65808
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:187.136099547
Heavy Atom Count:14
Complexity:201

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Ethyl-3-phenylvaleronitrile

There total 3 articles about 3-Ethyl-3-phenylvaleronitrile 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: 55.0%

: C₁₃H₁₈O

: 73840-27-4
β,β-diethyl-β-phenylpropionitrile

Guidance literature:: With ammonia; iodine; at 0 ℃; for 1h;
DOI:10.1002/ejoc.201700277

Reference yield:

: 221692-50-8
α-phenyl-α,α-diethylacetaldehyde

: 73840-27-4
β,β-diethyl-β-phenylpropionitrile

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran / 2 h / 0 - 20 °C

2: toluene-4-sulfonic acid / water; acetonitrile / 2 h / 0 - 20 °C

3: iodine; ammonia / 1 h / 0 °C

With ammonia; iodine; toluene-4-sulfonic acid; In tetrahydrofuran; water; acetonitrile; 1: |Wittig Olefination;
DOI:10.1002/ejoc.201700277

Reference yield:

: C₁₄H₂₀O

: 73840-27-4
β,β-diethyl-β-phenylpropionitrile

Guidance literature:: Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / water; acetonitrile / 2 h / 0 - 20 °C

2: iodine; ammonia / 1 h / 0 °C

With ammonia; iodine; toluene-4-sulfonic acid; In water; acetonitrile;
DOI:10.1002/ejoc.201700277