2,2-Diphenylpentanenitrile

Base Information

• Chemical Name: 2,2-Diphenylpentanenitrile
• CAS No.: 29949-16-4
• Molecular Formula: C17H17 N
• Molecular Weight: 235.329
• NSC Number: 158338
• DSSTox Substance ID: DTXSID10303438
• Wikidata: Q82048729
• Mol file: 29949-16-4.mol

Synonyms:29949-16-4;2,2-diphenylpentanenitrile;NSC158338;SCHEMBL4014770;DTXSID10303438;NSC-158338

Chemical Property of 2,2-Diphenylpentanenitrile

Chemical Property:

• Vapor Pressure: 3.35E-05mmHg at 25°C
• Boiling Point: 354.4°Cat760mmHg
• Flash Point: 172.9°C
• Density: 1.027g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 235.136099547
• Heavy Atom Count: 18
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of 2,2-Diphenylpentanenitrile

There total 8 articles about 2,2-Diphenylpentanenitrile 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: 92.0%

3,3-diphenyl-1-propyne (4279-86-1) + propyl bromide (106-94-5) → 2,2’-diphenylpentanenitrile (29949-16-4)

Guidance literature:

3,3-diphenyl-1-propyne; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;

propyl bromide; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1039/c4dt00114a

Reference yield:

Diphenylacetonitrile (86-29-3) → 2,2’-diphenylpentanenitrile (29949-16-4)

Guidance literature:

With sodium amide; benzene; anschliessend Erwaermen mit Propyljodid;

DOI:10.1021/ja01170a045

Reference yield:

Diphenylacetonitrile (86-29-3) + potassium tert-butylate (865-47-4) → 2,2’-diphenylpentanenitrile (29949-16-4)

Guidance literature:

With xylene; tert-butyl alcohol; anschliessend Erwaermen mit Propyljodid;

DOI:10.1021/ja01202a061

upstream raw materials:

2-phenyl-pentanenitrile

Diphenylacetonitrile

potassium tert-butylate

propyl bromide

Downstream raw materials:

2,2-diphenyl-valeric acid-(2-dimethylamino-ethyl ester); hydrochloride

(2,2-diphenyl-pentyl)-carbamic acid ethyl ester

1,1-bis-(4-nitro-phenyl)-butane

N-(2,2-diphenyl-pentyl)-N'-phenyl-thiourea

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