1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine

Base Information

• Chemical Name: 1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine
• CAS No.: 72242-03-6
• Molecular Formula: C18H27NO
• Molecular Weight: 273.418
• Hs Code.: 2933399090
• UNII: 28A91R606X
• DSSTox Substance ID: DTXSID50222578
• Nikkaji Number: J390.365F
• Wikidata: Q223096
• Wikipedia: 3-MeO-PCP
• Mol file: 72242-03-6.mol

Synonyms:1-(1-(3-methoxyphenyl)cyclohexyl)piperidine;3-MeO-phencyclidine

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Chemical Property of 1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine

Chemical Property:

• Boiling Point: 381.307 °C at 760 mmHg
• PKA: 7.99±0.20(Predicted)
• Flash Point: 112.362 °C
• PSA: 12.47000
• Density: 1.035 g/cm³
• LogP: 4.27840
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 273.209264485
• Heavy Atom Count: 20
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3

Technology Process of 1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine

There total 5 articles about 1-(1-(3-Methoxyphenyl)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:

C13H22N4 (1276118-77-4) + (3-methoxyphenyl)magnesium bromide (36282-40-3) → 3-methoxyphencyclidine (72242-03-6)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1016/j.bmcl.2011.02.009

Reference yield:

piperidine (110-89-4) → 3-methoxyphencyclidine (72242-03-6)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 12 h / 130 °C

2: tetrahydrofuran / -78 - 20 °C

In tetrahydrofuran; toluene;

DOI:10.1016/j.bmcl.2011.02.009

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 3-methoxyphencyclidine (72242-03-6)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 12 h / 130 °C

2: tetrahydrofuran / -78 - 20 °C

In tetrahydrofuran; toluene;

DOI:10.1016/j.bmcl.2011.02.009

upstream raw materials:

diazomethane

N-[1-(3-hydroxyphenyl)cyclohexyl]piperidine

piperidine

C₁₃H₂₂N₄

Downstream raw materials:

C₂₁H₃₃NO

C₁₉H₂₆F₃NO

N-[1-(3-hydroxyphenyl)cyclohexyl]piperidine

3-(1-Piperidin-1-yl-cyclohexyl)-phenol; hydrobromide

Refernces

• 1、 Masumoto,Takeuchi,Ohta,Hirobe. "Application of chemical P450 model systems to studies on drug metabolism. I. Phencyclidine: A multi-functional model substrate". . p. 1788 - 1794. Retrieved 2007/10/02.