Betaprodine

Base Information Edit

Chemical Name:Betaprodine
CAS No.:468-59-7
Molecular Formula:C₁₆H₂₃NO₂
Molecular Weight:261.364
Hs Code.:2933399074
European Community (EC) Number:207-411-6
UNII:21J54X4Z4Z
DSSTox Substance ID:DTXSID1046766
Nikkaji Number:J10.195H
Wikidata:Q18002830
NCI Thesaurus Code:C79779
Metabolomics Workbench ID:146128
ChEMBL ID:CHEMBL3187964
Mol file:468-59-7.mol

Synonyms:Betaprodine;beta-Prodine;Betaprodina;Betaprodinum;.beta.-Prodinol;NU-1779;468-59-7;Betaprodinum [INN-Latin];Betaprodina [INN-Spanish];Betaprodine [INN:BAN:DCF];UNII-21J54X4Z4Z;25123-05-1;DTXSID1046766;21J54X4Z4Z;EINECS 207-411-6;Propionic acid (3R)-1,3beta-dimethyl-4-phenylpiperidine-4alpha-yl ester;.beta.-1,3-Dimethyl-4-phenyl-4-propionyloxypiperidine;Dl-.beta.-prodine;4-PIPERIDINOL, 1,3-DIMETHYL-4-PHENYL-, PROPIONATE (ester), stereoisomer;Acscn-9611;IDS-NB-006;DEA No. 9611;beta-Prodinol;4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate (ester), trans-;.beta.-Prodine;(?)-Betaprodine;NCGC00168347-01;beta-1,3-Dimethyl-4-phenyl-4-propionyloxypiperidine;BETAPRODINE [INN];Betaprodine [BAN:DCF:INN];SCHEMBL186644;CHEMBL3187964;DTXCID9026766;UVAZQQHAVMNMHE-CZUORRHYSA-N;Tox21_112620;DB01473;CAS-468-59-7;.beta.-1,3-Dimethyl-4-phenyl-4-piperidinol propanoate;1,3-Dimethyl-4-phenyl-4-piperidinyl propionate, trans-;4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate, trans-

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Chemical Property of Betaprodine Edit

Chemical Property:

Vapor Pressure:9.82E-05mmHg at 25°C
Boiling Point:338.4°Cat760mmHg
PKA:pKa 8.7 (Uncertain)
Flash Point:110.3°C
PSA：29.54000
Density:1.06g/cm³
LogP:2.74460
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:261.172878976
Heavy Atom Count:19
Complexity:312

Purity/Quality:

Safty Information:

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MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2
Isomeric SMILES:CCC(=O)O[C@@]1(CCN(C[C@H]1C)C)C2=CC=CC=C2

Technology Process of Betaprodine

There total 5 articles about Betaprodine 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: