1-(1-(2-Thienyl)cyclohexyl)pyrrolidine

Base Information

• Chemical Name: 1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
• CAS No.: 22912-13-6
• Molecular Formula: C₁₄H₂₁NS
• Molecular Weight: 235.393
• European Community (EC) Number: 432-830-8
• UNII: QD59MHJ0DG
• DSSTox Substance ID: DTXSID90177457
• Nikkaji Number: J228.128G
• Wikipedia: TCPy
• Wikidata: Q27287199
• Mol file: 22912-13-6.mol

Synonyms:1-(1-(2-thienyl)cyclohexyl)pyrrolidine;1-(1-(2-thienyl)cyclohexyl)pyrrolidine hydrochloride

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Chemical Property of 1-(1-(2-Thienyl)cyclohexyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.000221mmHg at 25°C
• Melting Point: 37-39 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
• Boiling Point: 326.1°Cat760mmHg
• PKA: 9.37±0.20(Predicted)
• Flash Point: 151°C
• PSA: 31.48000
• Density: 1.11g/cm³
• LogP: 3.94120
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 235.13947085
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC=CS2)N3CCCC3

Technology Process of 1-(1-(2-Thienyl)cyclohexyl)pyrrolidine

There total 2 articles about 1-(1-(2-Thienyl)cyclohexyl)pyrrolidine 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-Pyrrolidin-1-yl-cyclohexyl)-1H-benzotriazole (120802-87-1) → 1-[1-(2-thienyl)cyclohexyl]pyrrolidine (22912-13-6)

Guidance literature:

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

DOI:10.1021/jo048541k

Reference yield:

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) → 1-[1-(2-thienyl)cyclohexyl]pyrrolidine (22912-13-6)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 0.33 g / diethyl ether; tetrahydrofuran / 8 h / 20 °C

In tetrahydrofuran; diethyl ether;

DOI:10.1021/jo048541k

upstream raw materials:

2-thienyl lithium

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

1-(1-Cyclohexen-1-yl)pyrrolidine