Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-

Base Information

• Chemical Name: Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-
• CAS No.: 6306-95-2
• Molecular Formula: C₁₉H₂₂N₂
• Molecular Weight: 278.397
• NSC Number: 41657
• UNII: 98U135QP65
• DSSTox Substance ID: DTXSID30212391
• Nikkaji Number: J96.711D
• Mol file: 6306-95-2.mol

Synonyms:Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-;6306-95-2;NSC-41657;98U135QP65;5-(Dimethylamino)-2,2-diphenyl-valeronitrile;NSC 41657;BRN 2813947;5-(Dimethylamino)-2,2-diphenylvaleronitrile;alpha-(3-Dimethylaminopropyl)diphenylacetonitrile;NSC41657;3-14-00-01366 (Beilstein Handbook Reference);SCHEMBL11428691;UNII-98U135QP65;DTXSID30212391;.ALPHA.-(3-(DIMETHYLAMINO)PROPYL)-.ALPHA.-PHENYLBENZENEACETONITRILE;BENZENEACETONITRILE, .ALPHA.-(3-(DIMETHYLAMINO)PROPYL)-.ALPHA.-PHENYL-

Chemical Property of Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-

Chemical Property:

• Vapor Pressure: 9.84E-08mmHg at 25°C
• Boiling Point: 433.9°Cat760mmHg
• Flash Point: 183.8°C
• Density: 1.033g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 278.178298710
• Heavy Atom Count: 21
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-

There total 3 articles about Valeronitrile, 5-(dimethylamino)-2,2-diphenyl- 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:

Diphenylacetonitrile (86-29-3) → 5-dimethylamino-2,2-diphenyl-valeronitrile (6306-95-2)

Guidance literature:

With sodium amide; benzene; anschliessendes Erwaermen mit Dimethyl-<3-chlor-propyl>-amin;

DOI:10.1021/ja01181a023

Reference yield:

Diphenylacetonitrile (86-29-3) + 3-(Dimethylamino)propyl chloride (109-54-6) → 5-dimethylamino-2,2-diphenyl-valeronitrile (6306-95-2)

Guidance literature:

Multistep reaction; (i) NaNH₂, toluene, (ii) /BRN= 605294/;

DOI:10.1021/jo01065a032

Reference yield:

→ 5-dimethylamino-2,2-diphenyl-valeronitrile (6306-95-2)

Guidance literature:

entspr.Benzylcyanid, 3-(N-Dimethyl)-propylchlorid;

upstream raw materials:

Diphenylacetonitrile

3-(Dimethylamino)propyl chloride

Downstream raw materials:

7-dimethylamino-4,4-diphenyl-heptan-3-one

5-dimethylamino-2,2-diphenyl-valeric acid amide

7-dimethylamino-4,4-diphenyl-heptan-3-one-imine