4-(Dimethylamino)-2,2-diphenylvaleronitrile

Base Information Edit

Chemical Name:4-(Dimethylamino)-2,2-diphenylvaleronitrile
CAS No.:125-79-1
Molecular Formula:C19H22 N2
Molecular Weight:278.397
Hs Code.:
European Community (EC) Number:204-755-9,278-172-3
NSC Number:50382,2089
UNII:0GYB2HJA89
DSSTox Substance ID:DTXSID1048912
Nikkaji Number:J144.043H
Wikipedia:Methadone_intermediate
Wikidata:Q12470029
ChEMBL ID:CHEMBL2362721
Mol file:125-79-1.mol

Synonyms:125-79-1;4-(Dimethylamino)-2,2-diphenylpentanenitrile;Premethadone;Didiavalo;4-(Dimethylamino)-2,2-diphenylvaleronitrile;Methadone intermediate;Premethadon;4-Dimethylamino-2,2-diphenylvaleronitrile;2,2-Diphenyl-4-(dimethylamino)valeronitrile;2,2-Diphenyl-4-dimethylaminovaleronitrile;Methadon-zwischenprodukt;NSC 2089;EINECS 278-172-3;UNII-0GYB2HJA89;0GYB2HJA89;DTXSID1048912;(1)-4-(Dimethylamino)-2,2-diphenylpentanonitrile;NSC-2089;EINECS 204-755-9;NSC-50382;NCGC00247341-02;4-cyano-2-dimethylamino-4,4-diphenyl butane;Valeronitrile,2-diphenyl-;Valeronitrile, 4-(dimethylamino)-2,2-diphenyl-;75281-86-6;(4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile;Benzeneacetonitrile, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-;Benzeneacetonitrile, .alpha.-[2-(dimethylamino)propyl]-.alpha.-phenyl-;BENZENEACETONITRILE, .ALPHA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-PHENYL-;NSC2089;(4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile (Didiavalo;Methadone Nitrile);2,2-Diphenyl-4-dimethylaminopentanenitrile;METHADONE-INTERMEDIATE;MLS002320724;SCHEMBL504205;IDS-NM-003;DEA No. 9254;CHEMBL2362721;DIDIAVALO, (+/-)-;DTXCID4028838;HMS2272J04;NSC50382;Tox21_112859;MFCD00068847;AKOS025392613;BS-5037;NCGC00247341-01;CAS-125-79-1;SMR001338870;4-dimethylamino-2,2-diphenylpentanenitrile;4-cyano-2-dimethylamino-4,4-diphenylbutane;4-(Dimethylamino)-2,2-diphenylpentanenitrile #;(+/-)-4-Dimethylamino-2,2-diphenylvaleronitrile;(+-)-4-(dimethylamino)-2,2-diphenylpentanonitrile;Q12470029;METHADONE HYDROCHLORIDE IMPURITY B [EP IMPURITY];LEVOMETHADONE HYDROCHLORIDE IMPURITY B [EP IMPURITY];4-Cyano-2-dimethylamino-4,4-diphenylbutane (methadone-intermediate);METHADONE-INTERMEDIATE, 4-CYANO-2-DIMETHYLAMINO-4,4-DIPHENYL BUTANE

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 4-(Dimethylamino)-2,2-diphenylvaleronitrile Edit

Chemical Property:

Vapor Pressure:1.06E-06mmHg at 25°C
Melting Point:90-91 °C
Boiling Point:402.9°Cat760mmHg
PKA:8.89±0.50(Predicted)
Flash Point:165.9°C
PSA：27.03000
Density:1.032g/cm³
LogP:3.83648
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:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C
Uses Intermediate in the production of Methadone.

Technology Process of 4-(Dimethylamino)-2,2-diphenylvaleronitrile

There total 26 articles about 4-(Dimethylamino)-2,2-diphenylvaleronitrile 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: 45.0%

: 86-29-3
Diphenylacetonitrile

: 108-14-5
2-chloro-1-dimethylaminopropane

: 125-79-1
(R,S)-2,2-diphenyl-4-dimethylaminopentanenitrile

: 6293-01-2
2,2-diphenyl-3-methyl-4-(dimethylamino)-butyronitrile

Guidance literature:: With sodium hydroxide; In N,N-dimethyl-formamide; at 75 - 80 ℃; for 1h; Inert atmosphere;

Reference yield:

: 86-29-3
Diphenylacetonitrile

: 125-79-1
(R,S)-2,2-diphenyl-4-dimethylaminopentanenitrile

: 6293-01-2
2,2-diphenyl-3-methyl-4-(dimethylamino)-butyronitrile

Guidance literature:: With lithium amide; benzene; Erwaermen des Reaktionsgemisches mit (+-)-Dimethyl-<2-chlor-propyl>-amin;
DOI:10.1021/ja01169a015