Betacetylmethadol

Base Information

Chemical Name:Betacetylmethadol
CAS No.:17199-59-6
Deprecated CAS:7008-29-9
Molecular Formula:C₂₃H₃₁NO₂
Molecular Weight:353.505
Hs Code.:2922199090
UNII:905GLN509G
DSSTox Substance ID:DTXSID30169199
Nikkaji Number:J280.525A
Wikipedia:Betacetylmethadol
Wikidata:Q4897319
NCI Thesaurus Code:C77278
Metabolomics Workbench ID:146170
ChEMBL ID:CHEMBL2105619
Mol file:17199-59-6.mol

Synonyms:BETACETYLMETHADOL;Betacemethadon;17199-59-6;Betacetilmetadol;Betacetilmetadolo;Betacetylmethadolum;Acscn-9607;Betacetilmetadolo [DCIT];Betacetylmethadol [INN:BAN];UNII-905GLN509G;IDS-NB-003;Betacetilmetadol [INN-Spanish];Betacetylmethadolum [INN-Latin];905GLN509G;[(3S,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;beta-3-Acetoxy-6-dimethylamino-4,4-diphenylheptane;(3S,6R)-3-Acetoxy-6-dimethylamino-4,4-diphenylheptane;beta-1-Ethyl-4-dimethylamino-2,2-diphenylpentyl acetat;Betacetylmethadol [BAN:INN];SCHEMBL908330;BETACETYLMETHADOL [INN];DEA No. 9607;CHEMBL2105619;DTXSID30169199;BDBM50223631;DB01522;Q4897319;.BETA.-3-ACETOXY-6-DIMETHYLAMINO-4,4-DIPHENYLHEPTANE;3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), (3R,6R)-(-)-;3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), (3S,6R)-(-)-;BENZENEETHANOL, .BETA.-((2R)-2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, 1-ACETATE, (.ALPHA.S)-;Benzeneethanol, .beta.-[2-(dimethylamino)propyl]-.alpha.-ethyl-.beta.-phenyl-, acetate (ester), [S-(R*,S*)]-;Benzeneethanol, beta-((2R)-2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)-;Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (S-(R*,S*))-

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

Chemical Property of Betacetylmethadol

Chemical Property:

Vapor Pressure:1.68E-08mmHg at 25°C
Refractive Index:1.529
Boiling Point:456°C at 760 mmHg
PKA:9.40±0.50(Predicted)
Flash Point:130°C
PSA：29.54000
Density:1.02g/cm³
LogP:4.65460
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:353.235479232
Heavy Atom Count:26
Complexity:404

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
Isomeric SMILES:CC[C@@H](C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

Technology Process of Betacetylmethadol

There total 3 articles about Betacetylmethadol 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: