1-Methyl-2-phenylpiperidine

Base Information

• Chemical Name: 1-Methyl-2-phenylpiperidine
• CAS No.: 36939-28-3
• Molecular Formula: C12H17 N
• Molecular Weight: 175.274
• Hs Code.: 2933399090
• European Community (EC) Number: 253-282-4
• NSC Number: 129296
• DSSTox Substance ID: DTXSID801310842
• Nikkaji Number: J260.706I
• Mol file: 36939-28-3.mol

Synonyms:1-Methyl-2-phenylpiperidine;36939-28-3;EINECS 253-282-4;NSC129296;CN1CCCCC1c2ccccc2;SCHEMBL2606118;N-meth-ylphenyltetrahydropyridine;DTXSID801310842;NSC 129296;NSC-129296

Chemical Property of 1-Methyl-2-phenylpiperidine

Chemical Property:

• Vapor Pressure: 0.0263mmHg at 25°C
• Boiling Point: 247°Cat760mmHg
• Flash Point: 94.2°C
• PSA: 3.24000
• Density: 0.964g/cm³
• LogP: 2.78130
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1C2=CC=CC=C2

Technology Process of 1-Methyl-2-phenylpiperidine

There total 26 articles about 1-Methyl-2-phenylpiperidine 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: 75.5%

1-methyl-2-phenyl-1-piperideinium chloride (88013-89-2) → N-methyl-2-phenylpiperidine (36939-28-3)

Guidance literature:

With formic acid; potassium formate; at 150 - 180 ℃; for 8h;

Reference yield: 41.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-phenylpiperidine (3466-80-6) → N-methyl-2-phenylpiperidine (36939-28-3)

Guidance literature:

With formic acid; at 150 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1021/ja058536d

Reference yield: 30.0%

2-phenylpyridine (1008-89-5) + carbon dioxide (124-38-9,18923-20-1) → N-methyl-2-phenylpiperidine (36939-28-3)

Guidance literature:

With Al⁽³⁺⁾*CF₃O₃S⁽²⁺⁾; hydrogen; tris(acetylacetonato)ruthenium(III); [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In tetrahydrofuran; at 160 ℃; for 16h;

DOI:10.1002/anie.201405779

upstream raw materials:

iodure de 1-methyl-2-phenylpyridinium

1-Methyl-2-oxo-6-phenyl-piperidin

1-methylpiperidin-2-one

phenyllithium

Downstream raw materials:

2-Methyl-7-phenyl-hexahydro-1,2-oxazepin

cis-N-Methyl-5-phenyl-4-penten-1-amine

Refernces

• 1、 Dunsmore, Colin J.,Carr, Reuben,Fleming, Toni,Turner, Nicholas J.. "A chemo-enzymatic route to enantiomerically pure cyclic tertiary amines". . p. 2224 - 2225. Retrieved 2007/10/03.
• 2、 Lewis, Frederick D.,Reddy, G. Dasharatha. "INTRAMOLECULAR PHOTOCHEMICAL REACTIONS OF N-ALKYL-5-PHENYL-4-PENTEN-1-AMINES". . p. 5293 - 5296. Retrieved 2007/10/02.