Perhexiline

Base Information

• Chemical Name: Perhexiline
• CAS No.: 39648-48-1
• Deprecated CAS: 35193-73-8
• Molecular Formula: C₁₉H₃₅N
• Molecular Weight: 277.494
• European Community (EC) Number: 252-426-3,229-569-5,254-558-7,254-559-2
• UNII: KU65374X44
• DSSTox Substance ID: DTXSID7023439
• Nikkaji Number: J261.412J,J261.413H,J8.427A
• Wikipedia: Perhexiline
• Wikidata: Q1232737
• NCI Thesaurus Code: C170311
• Pharos Ligand ID: MSNZUYXPL2R2
• Metabolomics Workbench ID: 43310
• ChEMBL ID: CHEMBL75880
• Mol file: 39648-48-1.mol

Synonyms:Perhexilene;Perhexiline

Chemical Property of Perhexiline

Chemical Property:

• Boiling Point: 340°Cat760mmHg
• Flash Point: 164.5°C
• PSA: 12.03000
• Density: 0.926g/cm³
• LogP: 5.62420
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 277.276950121
• Heavy Atom Count: 20
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3
• Recent ClinicalTrials: Role of Perhexiline in Hypertrophic Cardiomyopathy
• Recent EU Clinical Trials: Myocardial protection with Perhexiline in Left Ventricular Hypertrophy

Technology Process of Perhexiline

There total 3 articles about Perhexiline 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:

α-(2,2-diphenylvinyl)pyridine (5733-76-6) → perhexiline (6621-47-2,39648-47-0,39648-48-1,35193-73-8)

Guidance literature:

aluminum nickel; In cyclohexane;

Reference yield:

2-(2,2-dicyclohexylvinyl)pyridine (5749-71-3) → perhexiline (6621-47-2,39648-47-0,39648-48-1,35193-73-8)

Guidance literature:

With platinum(IV) oxide; hydrogen; acetic acid; at 20 ℃; for 20h; under 541.554 - 1005.1 Torr;

DOI:10.1002/jlcr.1696

Reference yield:

2-(2,2-dicyclohexylvinyl)pyridine (5749-71-3) → C19H29(2)H6N + perhexiline (6621-47-2,39648-47-0,39648-48-1,35193-73-8)

Guidance literature:

With platinum(IV) oxide; deuteroacetic acid; hydrogen; at 20 ℃; for 20h; under 541.554 - 1005.1 Torr;

DOI:10.1002/jlcr.1696

upstream raw materials:

α-(2,2-diphenylvinyl)pyridine

2-(2,2-dicyclohexylvinyl)pyridine

Downstream raw materials:

N-methylperhexiline

5-{4-[2-(2,2-Dicyclohexyl-ethyl)-piperidin-1-yl]-4-oxo-butoxy}-2-nitro-benzaldehyde

7-{4-[2-(2,2-Dicyclohexyl-ethyl)-piperidin-1-yl]-4-oxo-butoxy}-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one

Refernces

• 1、 -. "Process for preparing 2-(2,2-dicyclohexylethyl)piperidine". . . Retrieved 2008/06/13.