1-Cyclohexylpyrrolidine

Base Information

• Chemical Name: 1-Cyclohexylpyrrolidine
• CAS No.: 7731-02-4
• Molecular Formula: C10H19 N
• Molecular Weight: 153.268
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00228060
• Nikkaji Number: J1.091.482E
• Wikidata: Q27118103
• Metabolomics Workbench ID: 56129
• Mol file: 7731-02-4.mol

Synonyms:1-cyclohexylpyrrolidine;7731-02-4;N-cyclohexylpyrrolidine;1-CYCLOHEXYL-PYRROLIDINE;Pyrrolidine,1-cyclohexyl-;Pyrrolidine, 1-cyclohexyl-;cyclohexylpyrrolidine;cyclohexyl pyrrolidine;SCHEMBL61458;1-(1-pyrrolidinyl)cyclohexane;CHEBI:39032;DTXSID00228060;MFCD09032128;AKOS005174167;LS-04212;CS-0186333;E76733;Q27118103

Chemical Property of 1-Cyclohexylpyrrolidine

Chemical Property:

• Vapor Pressure: 0.189mmHg at 25°C
• Boiling Point: 210.8°C at 760 mmHg
• Flash Point: 82.7°C
• PSA: 3.24000
• Density: 0.958g/cm³
• LogP: 2.35280
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 153.151749610
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

1-Cyclohexylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2CCCC2

Technology Process of 1-Cyclohexylpyrrolidine

There total 33 articles about 1-Cyclohexylpyrrolidine 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: 100.0%

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) → N-cyclohexylpyrrolidine (7731-02-4)

Guidance literature:

With C₂₈H₃₂PZr⁽¹⁺⁾*C₁₉H₃BF₁₅^(1-); hydrogen; at 20 ℃; for 2h; Reagent/catalyst; Glovebox; Schlenk technique;

DOI:10.1021/jacs.5b06551

Reference yield: 100.0%

1-Pyrrolidinyl-1-cyclohexen-hydroperchlorat → N-cyclohexylpyrrolidine (7731-02-4)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; In acetonitrile; Heating;

Reference yield: 88.0%

pyrrolidine (123-75-1) + cyclohexanol (108-93-0) → N-cyclohexylpyrrolidine (7731-02-4)

Guidance literature:

With sodium hydrogencarbonate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; In toluene; at 110 ℃; for 17h;

DOI:10.1016/j.tet.2007.11.083

upstream raw materials:

tetrahydrofuran

cyclohexylamine

1-phenylpyrrole

Butane-1,4-diol

Downstream raw materials:

perfluoro-N-cyclohexylpyrrolidine

7-hydroxy-spiro<2H-1-benzopyran-2,1'-cyclohexane>-4(3H)-one

1-cyclohexyl-1H-pyrrole

N-phenylpyrrolidine

Refernces

• 1、 Sastre, German,Leiva, Sandra,Sabater, Maria J.,Gimenez, Ignacio,Rey, Fernando,Valencia, Susana,Corma, Avelino. "Computational and experimental approach to the role of structure-directing agents in the synthesis of zeolites: The case of cyclohexyl alkyl pyrrolidinium salts in the synthesis of β, EU-1, ZSM-11, and ZSM-12 zeolites". . p. 5432 - 5440. Retrieved 2003.
• 2、 Chaudhari, Chandan,Nagaoka, Katsutoshi,Nishida, Yoshihide,Rumi, Saeki,Sato, Katsutoshi,Shiraishi, Masaya. "Rh-PVP Catalyzed Reductive Amination of Phenols by Ammonia or Amines to Cyclohexylamines under Solvent-free Conditions". supporting information. p. 81 - 84. Retrieved 2022/01/12.
• 3、 Cuypers, Thomas,Morias, Thomas,Windels, Simon,Marquez, Carlos,Van Goethem, Cédric,Vankelecom, Ivo,De Vos, Dirk E.. "Ni-Catalyzed reductive amination of phenols with ammonia or amines into cyclohexylamines". . p. 1884 - 1893. Retrieved 2020/04/07.