1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine

Base Information

• Chemical Name: 1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine
• CAS No.: 112726-66-6
• Molecular Formula: C19H25NS
• Molecular Weight: 299.48
• Hs Code.: 2934999090
• UNII: Q1WR6UP7MW
• DSSTox Substance ID: DTXSID0042581
• Nikkaji Number: J227.590B
• Wikipedia: Benocyclidine
• Wikidata: Q2906149
• Pharos Ligand ID: 47SKY2625KAF
• Metabolomics Workbench ID: 63184
• ChEMBL ID: CHEMBL279556

Synonyms:1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine;1-BTCP;GK 13;GK-13;N-(1-(2-benzo(b)thiophenyl)cyclohexyl)piperidine

Chemical Property of 1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.92E-07mmHg at 25°C
• Melting Point: 80℃ (ethanol )
• Boiling Point: 425.4 °C at 760 mmHg
• PKA: 8.56±0.20(Predicted)
• Flash Point: 211.1 °C
• PSA: 31.48000
• Density: 1.135 g/cm³
• LogP: 5.48450
• Storage Temp.: 2-8°C
• Solubility.: H2O: >180 mg/mL
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 299.17077098
• Heavy Atom Count: 21
• Complexity: 344

Purity/Quality:

98% ^*data from raw suppliers

BenzothiophenylcyclohexylpiperidineMaleate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4
• Uses: Benzothiophenylcyclohexylpiperidine Maleate is a potent dopamine re-uptake/transport inhibitor different from PCP and other stimulants.

Technology Process of 1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine

There total 9 articles about 1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine 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:

1-(benzo[b]thiophen-2-yl)cyclohexan-1-ol (6774-43-2) → 1-[1-(2-benzo[b]thienyl)cyclohexyl]piperidine (112726-66-6)

Guidance literature:

Multi-step reaction with 3 steps

1: NaN₃, CF₃COOH / CHCl₃ / 0 - 20 °C

2: LiAlH₄ / tetrahydrofuran; diethyl ether / Ambient temperature

3: 2.) K₂CO₃ / 1.) DMF, 60 deg C, 48 h, 2.) DMF, heating, 24 h

With lithium aluminium tetrahydride; sodium azide; potassium carbonate; trifluoroacetic acid; In tetrahydrofuran; diethyl ether; chloroform;

DOI:10.1021/jm00061a009

Reference yield:

2-(1-Azido-cyclohexyl)-benzo[b]thiophene (143603-25-2) → 1-[1-(2-benzo[b]thienyl)cyclohexyl]piperidine (112726-66-6)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran; diethyl ether / Ambient temperature

2: 2.) K₂CO₃ / 1.) DMF, 60 deg C, 48 h, 2.) DMF, heating, 24 h

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jm00061a009

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-[1-(2-benzo[b]thienyl)cyclohexyl]piperidine (112726-66-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) n-BuLi / 1.) Et₂O, hexane, RT, 2.) Et₂O, hexane, RT

2: NaN₃, CF₃COOH / CHCl₃ / 0 - 20 °C

3: LiAlH₄ / tetrahydrofuran; diethyl ether / Ambient temperature

4: 2.) K₂CO₃ / 1.) DMF, 60 deg C, 48 h, 2.) DMF, heating, 24 h

With lithium aluminium tetrahydride; n-butyllithium; sodium azide; potassium carbonate; trifluoroacetic acid; In tetrahydrofuran; diethyl ether; chloroform;

DOI:10.1021/jm00061a009

upstream raw materials:

2-iodobenzothiophene

1-piperidinocyclohexylcarbonitrile

1,5-dibromo-pentane

1-(2-benzothiophenyl)cyclohexylamine

Downstream raw materials:

1-<1-(5-amino-2-benzothienyl)cyclohexyl>piperidine

1-<1-(4-amino-2-benzothienyl)cyclohexyl>piperidine

1-<1-(4-isothiocyanato-2-benzothienyl)cyclohexyl>piperidine

1-<1-(5-isothiocyanato-2-benzothienyl)cyclohexyl>piperidine

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