125-79-1

Basic information

• Product Name: 4-dimethylamino-2,2-diphenylvaleronitrile
• Synonyms: 4-dimethylamino-2,2-diphenylvaleronitrile;rac-2-Despropionyl 2-Cyano Methadone;rac-2-Despropionyl 2-Cyano Methadone (Methadone Nitrile);2,2-Diphenyl-4-(diMethylaMino)valeronitrile;NSC 2089;NSC 50382;4-(dimethylamino)-2,2-diphenylpentanenitrile;Methadone Impurity B
• CAS NO: 125-79-1
• Molecular Formula: C₁₉H₂₂N₂
• Molecular Weight: 278.39138
• EINECS: 204-755-9
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 125-79-1.mol
• Article Data: 12

Chemical Properties

• Melting Point: 90-91 °C
• Boiling Point: 402.9°Cat760mmHg
• Flash Point: 165.9°C
• Appearance: /
• Density: 1.032g/cm³
• Vapor Pressure: 1.06E-06mmHg at 25°C
• Refractive Index: 1.554
• PKA: 8.89±0.50(Predicted)
• CAS DataBase Reference: 4-dimethylamino-2,2-diphenylvaleronitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-dimethylamino-2,2-diphenylvaleronitrile(125-79-1)
• EPA Substance Registry System: 4-dimethylamino-2,2-diphenylvaleronitrile(125-79-1)

Safety Data

• Hazardous Substances Data: 125-79-1(Hazardous Substances Data)

Usage

Chemical Properties

Light Brown Solid

Uses

Intermediate in the production of Methadone.

InChI:InChI=1/C19H22N2/c1-16(21(2)3)14-19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3

Upstream product

• 56-23-5 tetrachloromethane 
• 86-29-3 Diphenylacetonitrile 
• 865-47-4 potassium tert-butylate 
• 53309-35-6 (2-chloro-1-methyl-ethyl)-dimethyl-amine 
• 75-65-0 tert-butyl alcohol 
• 108-14-5 2-chloro-1-dimethylaminopropane 
• 71-43-2 benzene 
• 140-29-4 phenylacetonitrile 
• 5798-79-8 bromo-phenyl-acetonitrile 
• 20985-42-6 4-Oxo-2,2-diphenylvaleronitril 
• 506-59-2 N,N-dimethylammonium chloride 
• 4584-49-0 (2-chloropropyl)dimethylamine hydrochloride 
• 101792-63-6 (+/-)-4-formylamino-2,2-diphenyl-valeronitrile 
• 1438527-99-1 C₅H₁₂N⁽¹⁺⁾*Cl^(1-) 

Downstream Products

• 76-99-3 Methadone 
• 32443-35-9 5-dimethylamino-3,3-diphenyl-hexan-2-one 
• 110050-37-8 (S)-4-dimethylamino-2.2-diphenyl-valeric acid ethyl ester 
• 110050-37-8 (R)-4-dimethylamino-2,2-diphenyl-valeric acid ethyl ester 
• 113135-21-0 trimethyl-(1-methyl-3,3-diphenyl-propyl)-ammonium; iodide 
• 102320-84-3 4-dimethylamino-2,2-diphenyl-pentan-1-ol 
• 47110-23-6 (+/-)-4-dimethylamino-2,2-diphenyl-valeraldehyde 
• 125-58-6 levomethadone 
• 5653-80-5 (S)-methadone 
• 30223-75-7 (+/-)-1,5-dimethyl-3,3-diphenyl-2-pyrrolidone 
• 13957-55-6 recipavrin 
• 412282-67-8 1,5-dimethyl-3,3-diphenyl-pyrrolidin-2-ylideneamine 
• 103193-25-5 (3-cyano-1-methyl-3,3-diphenyl-propyl)-trimethyl-ammonium; iodide 
• 110050-37-8 (+/-)-4-dimethylamino-2.2-diphenyl-valeric acid ethyl ester 

Relevant articles and documents

(R)-6-(DIMETHYLAMINO)-4,4-DIPHENYLHEPTAN-3-ONE

(R)-6-(dimethylamino)-4,4-diphenylheptan-3-one and a process to produce thereof.

(R)-6-(DIMETHYLAMINO)-4,4-DIPHENYLHEPTAN-3-ONE

Methods for producing methadone and its resolution to produce (R)-6-dimethylamino-4,4-diphenylheptan-3-one ((R)- methadone). Such methods producing first the precursor compound 4-(dimethylamino)-2,2-diphenylpentanitrile. Oxidation of 4-(dimethylamino)-2,2-diphenylpentanitrile with ethyl magnesium halide and hydrolysis with of the complex to form 6-dimethylamino-4,4-diphenylheptan-3-one. Resolution to the (R)-isomer is effected by reaction with a bromocamphor salt. Once isolated the (R)-isomer is crystallised.