Rolicyclidine

Base Information

• Chemical Name: Rolicyclidine
• CAS No.: 2201-39-0
• Deprecated CAS: 82084-52-4
• Molecular Formula: C16H23 N
• Molecular Weight: 229.365
• Hs Code.: 2933990052
• UNII: 183O9O9JE3
• DSSTox Substance ID: DTXSID8046167
• Nikkaji Number: J7.357A
• Wikipedia: Rolicyclidine
• Wikidata: Q570183
• NCI Thesaurus Code: C74374
• Metabolomics Workbench ID: 61277
• ChEMBL ID: CHEMBL1719398
• Mol file: 2201-39-0.mol

Synonyms:1-(1-phenylcyclohexyl)pyrrolidine;1-(1-phenylcyclohexyl)pyrrolidine hydrochloride;PHP (1-(1-phenylcyclohexyl)pyrrolidine)

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Chemical Property of Rolicyclidine

Chemical Property:

• Vapor Pressure: 0.000282mmHg at 25°C
• Melting Point: 44-45 °C
• Refractive Index: 1.561
• Boiling Point: 322.3°Cat760mmHg
• PKA: 9.86±0.20(Predicted)
• Flash Point: 135.2°C
• PSA: 3.24000
• Density: 1.03g/cm³
• LogP: 3.87970
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 229.183049738
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Rolicyclidine

There total 3 articles about Rolicyclidine 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: 52.0%

pyrrolidine (123-75-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + phenylmagnesium bromide → Rolicyclidine (2201-39-0)

Guidance literature:

pyrrolidine; cyclohexanone; With 1,2,3-triazole; In toluene; at 108 - 114 ℃;

phenylmagnesium bromide; In tetrahydrofuran; toluene; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2005.06.066

Reference yield: 13.0%

phenylmagnesium bromide + 1-(1-Pyrrolidin-1-yl-cyclohexyl)-1H-benzotriazole (120802-87-1) → Rolicyclidine (2201-39-0)

Guidance literature:

In diethyl ether; benzene; at 20 ℃;

DOI:10.1055/s-1989-27156

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → Rolicyclidine (2201-39-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / benzene / 2 h / Heating

2: 13 percent / diethyl ether; benzene / 20 °C

In diethyl ether; benzene;

DOI:10.1055/s-1989-27156

upstream raw materials:

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

pyrrolidine

cyclohexanone