Benzethidine

Base Information

• Chemical Name: Benzethidine
• CAS No.: 3691-78-9
• Molecular Formula: C23H29NO3
• Molecular Weight: 367.53
• UNII: X0I74BAR02
• DSSTox Substance ID: DTXSID50190389
• Nikkaji Number: J8.661D
• Wikipedia: Benzethidine
• Wikidata: Q4083782
• NCI Thesaurus Code: C77277
• Metabolomics Workbench ID: 146167
• ChEMBL ID: CHEMBL2104234
• Mol file: 3691-78-9.mol

Synonyms:BENZETHIDINE;Benzethidin;NIH 7574;Benzethidine [INN:BAN:DCF];Benzethidinum;Benzetidina;Benzethidinum [INN-Latin];Benzetidina [INN-Spanish];3691-78-9;Acscn-9606;1-(2-Benzyloxyethyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester;BRN 0334584;UNII-X0I74BAR02;IDS-NB-001;X0I74BAR02;DEA No. 9606;Ethyl 1-(2-benzyloxyethyl)-4-phenylpiperidine-4-carboxylate;NIH-7574;Isonipecotic acid, 1-(2-(benzyloxy)ethyl)-4-phenyl-, ethyl ester;4-Piperidinecarboxylic acid, 4-phenyl-1-(2-(phenylmethoxy)ethyl)-, ethyl ester;4-Piperidinecarboxylic acid, 4-phenyl-1-[2-(phenylmethoxy)ethyl]-, ethyl ester;Isonipecotic acid, 1-[2-(benzyloxy)ethyl]-4-phenyl-, ethyl ester;Benzethidine [BAN:DCF:INN];BENZETHIDINE [INN];SCHEMBL908032;CHEMBL2104234;DTXSID50190389;ethyl 4-phenyl-1-(2-phenylmethoxyethyl)piperidine-4-carboxylate;DB01518;LS-85068;Q4083782;Ethyl 1-[2-(benzyloxy)ethyl]-4-phenyl-4-piperidinecarboxylate #

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Chemical Property of Benzethidine

Chemical Property:

• Vapor Pressure: 6.33E-09mmHg at 25°C
• Melting Point: 106.5°C
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 467.8°Cat760mmHg
• PKA: 7.69±0.10(Predicted)
• Flash Point: 236.7°C
• Density: 1.095g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 367.21474379
• Heavy Atom Count: 27
• Complexity: 433

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CCOCC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Benzethidine

There total 2 articles about Benzethidine 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:

benzyl 2-chloroethyl ether (17229-17-3) + Normeperidine (77-17-8) → 1-(2-Benzyloxy-ethyl)-4-phenyl-4-ethoxycarbonyl-piperidin (3691-78-9)

Guidance literature:

With pentan-1-ol; sodium carbonate;

DOI:10.1039/jr9580003065

Reference yield:

→ 1-(2-Benzyloxy-ethyl)-4-phenyl-4-ethoxycarbonyl-piperidin (3691-78-9)

Guidance literature:

4-Phenyl-4-ethoxycarbonyl-piperidin, (2-Chlorethyl)-benzyl-ether, sd. A., Na2CO3;

upstream raw materials:

benzyl 2-chloroethyl ether

Normeperidine