2,2-Diphenyl-3-methyl-4-(dimethylamino)butyronitrile, (+)-

Base Information

• Chemical Name: 2,2-Diphenyl-3-methyl-4-(dimethylamino)butyronitrile, (+)-
• CAS No.: 6134-96-9
• Molecular Formula: C₁₉H₂₂N₂
• Molecular Weight: 278.397
• UNII: DA63046PZU
• Nikkaji Number: J57.402C
• Wikidata: Q27276300
• ChEMBL ID: CHEMBL1525886
• Mol file: 6134-96-9.mol

Synonyms:Isodidiavalo, (+)-;UNII-DA63046PZU;DA63046PZU;6134-96-9;2,2-Diphenyl-3-methyl-4-(dimethylamino)butyronitrile, (+)-;Benzeneacetonitrile, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, (S)-;(+)-isodidiavalo;NCIStruc1_000038;NCIStruc2_000116;CHEMBL1525886;SCHEMBL18546842;NCI9993;CCG-37710;NCGC00013104;NCGC00013104-02;NCGC00096225-01;Q27276300;[S,(+)]-4-Dimethylamino-3-methyl-2,2-diphenylbutyronitrile;BENZENEACETONITRILE, .ALPHA.-(2-(DIMETHYLAMINO)-1-METHYLETHYL)-.ALPHA.-PHENYL-, (S)-

Chemical Property of 2,2-Diphenyl-3-methyl-4-(dimethylamino)butyronitrile, (+)-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 278.178298710
• Heavy Atom Count: 21
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CN(C)C)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
• Isomeric SMILES: C[C@H](CN(C)C)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of 2,2-Diphenyl-3-methyl-4-(dimethylamino)butyronitrile, (+)-

There total 3 articles about 2,2-Diphenyl-3-methyl-4-(dimethylamino)butyronitrile, (+)- 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:

(S)-1-dimethylamino-2-propanol (53636-17-2,53657-16-2) → (S)-4-dimethylamino-3-methyl-2.2-diphenyl-butyronitrile (6134-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CHCl₃

With thionyl chloride; In chloroform;

DOI:10.1021/jo00866a030

Reference yield:

2,2-diphenyl-3-methyl-4-(dimethylamino)-butyronitrile (6293-01-2) → (S)-4-dimethylamino-3-methyl-2.2-diphenyl-butyronitrile (6134-96-9)

Guidance literature:

DOI:10.1021/ja01192a065

Reference yield:

(R)-2-Chloro-N,N-dimethylpropylamine (57496-00-1) + diphenylcyanomethylsodium (53847-23-7) → (S)-4-dimethylamino-3-methyl-2.2-diphenyl-butyronitrile (6134-96-9)

Guidance literature:

DOI:10.1021/jo00866a030

upstream raw materials:

2,2-diphenyl-3-methyl-4-(dimethylamino)-butyronitrile

(R)-2-Chloro-N,N-dimethylpropylamine

diphenylcyanomethylsodium

(S)-1-dimethylamino-2-propanol

Downstream raw materials:

(5S)-isomethadone