Tenocyclidine

Base Information

• Chemical Name: Tenocyclidine
• CAS No.: 21500-98-1
• Molecular Formula: C15H23 N S
• Molecular Weight: 249.42
• UNII: 8BQ45Q6VCL
• DSSTox Substance ID: DTXSID3046168
• Nikkaji Number: J10.787E
• Wikipedia: Tenocyclidine
• Wikidata: Q2907272
• NCI Thesaurus Code: C96892
• Pharos Ligand ID: TVYHKCTVS5TK
• Metabolomics Workbench ID: 63440
• ChEMBL ID: CHEMBL279676
• Mol file: 21500-98-1.mol

Synonyms:(3H)thienylcyclohexylpiperidine;1-(1-(2-thienyl)cyclohexyl)piperidine;1-(1-(2-thienyl)cyclohexyl)piperidine hydrochloride;1-(1-(2-thienyl)cyclohexyl)piperidine, tritium-labeled;2-thienylphencyclidine;N-(1-(2-thiophenyl)cyclohexyl)piperidine;tenocyclidine;tenocyclidine hydrochloride;tenocyclidine-TCP;thienyl cyclohexylpiperidine;thienylcyclohexylpiperidine

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Chemical Property of Tenocyclidine

Chemical Property:

• Vapor Pressure: 6.99E-05mmHg at 25°C
• Boiling Point: 343.6°Cat760mmHg
• PKA: 8.56±0.20(Predicted)
• Flash Point: 161.6°C
• PSA: 31.48000
• Density: 1.085g/cm³
• LogP: 4.33130
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.15512091
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC=CS2)N3CCCCC3

Technology Process of Tenocyclidine

There total 5 articles about Tenocyclidine 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:

2-thienyl lithium (2786-07-4) + 1-(1-Piperidin-1-yl-cyclohexyl)-1H-benzotriazole (120802-88-2) → 1-[1-(2-thienyl)cyclohexyl]piperidine (21500-98-1)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 8h;

DOI:10.1021/jo048541k

Reference yield:

1-(cyclohex-1-en-1-yl)piperidine (2981-10-4) → 1-[1-(2-thienyl)cyclohexyl]piperidine (21500-98-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; tetrahydrofuran / 0.5 h / 20 °C

2: 0.26 g / diethyl ether; tetrahydrofuran / 8 h / 20 °C

In tetrahydrofuran; diethyl ether;

DOI:10.1021/jo048541k

Reference yield:

1-<1-(5-bromo-2-thienyl)-1-cyclohexyl>piperidine (105149-59-5) → 1-[1-(2-thienyl)cyclohexyl]piperidine (21500-98-1) + 5-<1-(1-piperidinyl)-1-cyclohexyl>thiophene-2-carboxylic acid

Guidance literature:

With n-butyllithium; carbon dioxide; Yield given. Multistep reaction. Yields of byproduct given; 1) ether, hexane, -60 - -50 deg C, 4 min; 2) ether, hexane;

DOI:10.1135/cccc19950894

upstream raw materials:

carbon dioxide

1-<1-(5-bromo-2-thienyl)-1-cyclohexyl>piperidine

2-thienyl lithium

1-(1-Piperidin-1-yl-cyclohexyl)-1H-benzotriazole

Refernces

• 1、 Sindelar, Karel,Dobrovsky, Karel,Krejci, Ivan,Polivka, Zdenek. "SUBSTITUTED 1-(2-THIENYL)CYCLOHEXYLAMINES AND RELATED COMPOUNDS AS POTENTIAL NMDA ANTAGONISTS". . p. 894 - 902. Retrieved 2007/10/02.