(3E)-1-Methyl-3-(phenylmethylidene)piperidine hydrochloride

Base Information

• Chemical Name: (3E)-1-Methyl-3-(phenylmethylidene)piperidine hydrochloride
• CAS No.: 114507-02-7
• Molecular Formula: C13H17 N . Cl H
• Molecular Weight: 223.746
• Mol file: 114507-02-7.mol

Synonyms:(3E)-1-Methyl-3-(phenylmethylidene)piperidine hydrochloride;Piperidine, 1-methyl-3-(phenylmethylene)-, hydrochloride, (E)-;114507-02-7

Chemical Property of (3E)-1-Methyl-3-(phenylmethylidene)piperidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00222mmHg at 25°C
• Boiling Point: 289.3°C at 760 mmHg
• Flash Point: 117.6°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 223.1127773
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC(=CC2=CC=CC=C2)C1.Cl
• Isomeric SMILES: CN1CCC/C(=C\C2=CC=CC=C2)/C1.Cl

Technology Process of (3E)-1-Methyl-3-(phenylmethylidene)piperidine hydrochloride

There total 5 articles about (3E)-1-Methyl-3-(phenylmethylidene)piperidine hydrochloride 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:

1-methyl-3-piperidone (5519-50-6) → (E)-N-methyl-3-(phenylmethylene)piperidine hydrochloride (114507-02-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.95 g / NaH / 1,2-dimethoxy-ethane / 1.5 h / Heating

2: HCl / diethyl ether

With hydrogenchloride; sodium hydride; In 1,2-dimethoxyethane; diethyl ether;

DOI:10.1021/jm00403a013

Reference yield:

(E)-N-methyl-3-(phenylmethylene)piperidine (114507-01-6) → (E)-N-methyl-3-(phenylmethylene)piperidine hydrochloride (114507-02-7)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1021/jm00403a013

Reference yield:

3-methoxy-1-methyl-1,2,5,6-tetrahydropyridine (98435-42-8) → (E)-N-methyl-3-(phenylmethylene)piperidine hydrochloride (114507-02-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 81 percent / conc. HBr / 5 h / Heating

2: aq. K₂CO₃

3: 0.95 g / NaH / 1,2-dimethoxy-ethane / 1.5 h / Heating

4: HCl / diethyl ether

With hydrogenchloride; hydrogen bromide; sodium hydride; potassium carbonate; In 1,2-dimethoxyethane; diethyl ether;

DOI:10.1021/jm00403a013

upstream raw materials:

(E)-N-methyl-3-(phenylmethylene)piperidine

1-methyl-3-piperidone

3-methoxy-1-methyl-1,2,5,6-tetrahydropyridine

O,O-diethyl benzylphosphonate

Refernces