Betameprodine

Base Information

• Chemical Name: Betameprodine
• CAS No.: 468-50-8
• Molecular Formula: C₁₇H₂₅NO₂
• Molecular Weight: 275.391
• Hs Code.: 2933399073
• European Community (EC) Number: 207-407-4
• UNII: 4XS533X38C
• ChEMBL ID: CHEMBL2104168
• DSSTox Substance ID: DTXSID801017191
• Metabolomics Workbench ID: 146200
• NCI Thesaurus Code: C79781
• Nikkaji Number: J238.591K
• Mol file: 468-50-8.mol

Synonyms:Betameprodine;468-50-8;NU-1932;IDS-NB-004;4XS533X38C;beta-1-Methyl-3-ethyl-4-phenyl-4-propionoxy-piperidin;beta-3-Ethyl-1-methyl-4-phenyl-4-propionoxypiperidine;Betameprodina;Betameprodinum;Betameprodinum [INN-Latin];Betameprodina [INN-Spanish];beta-meprodine;UNII-4XS533X38C;Betameprodine [INN:BAN:DCF];Nu 1732;EINECS 207-407-4;BETAMEPRODINE [INN];DEA No. 9608;CHEMBL2104168;DTXSID801017191;DB01552;beta-3-Ethyl-1-methyl-4-phenyl-4-propionyloxypiperidine;4-Piperidinol, 3-ethyl-1-methyl-4-phenyl-, propionate (ester;.BETA.-3-ETHYL-1-METHYL-4-PHENYL-4-PROPIONYLOXYPIPERIDINE;4-Piperidinol, 3-ethyl-1-methyl-4-phenyl-, propanoate (ester), trans-

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Chemical Property of Betameprodine

Chemical Property:

• Vapor Pressure: 3.38E-05mmHg at 25°C
• Boiling Point: 354.3°Cat760mmHg
• PKA: 7.32±0.10(Predicted)
• Flash Point: 112.1°C
• PSA: 29.54000
• Density: 1.04g/cm³
• LogP: 3.13470
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 275.188529040
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN(CCC1(C2=CC=CC=C2)OC(=O)CC)C
• Isomeric SMILES: CC[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)OC(=O)CC)C

Technology Process of Betameprodine

There total 3 articles about Betameprodine 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:

propionic acid anhydride (123-62-6) → (+/-)-[3r-ethyl-1-methyl-4c-phenyl-4t-propionyloxy-piperidine (468-50-8,468-51-9,51372-89-5)

Guidance literature:

Edukt 1. eingesetzt im Gemisch mit dem Stereoisomeren; s. Verbindung /2004851800004/;

DOI:10.1021/jo01362a053

Reference yield:

phenyllithium (591-51-5) → (+/-)-[3r-ethyl-1-methyl-4t-phenyl-4c-propionyloxy-piperidine (468-50-8,468-51-9,51372-89-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

With diethyl ether;

DOI:10.1021/jo01362a053

Reference yield:

(+/-)-3c-ethyl-1-methyl-4-phenyl-piperidin-4r-ol (51596-41-9,51704-07-5,51704-08-6,57457-04-2,57457-05-3,101775-72-8) + propionic acid anhydride (123-62-6) → (+/-)-[3r-ethyl-1-methyl-4t-phenyl-4c-propionyloxy-piperidine (468-50-8,468-51-9,51372-89-5)

Guidance literature:

DOI:10.1021/jo01362a053

upstream raw materials:

propionic acid anhydride

(+/-)-3c-ethyl-1-methyl-4-phenyl-piperidin-4r-ol

phenyllithium