4-Benzyl-1-methylpiperidine

Base Information

• Chemical Name: 4-Benzyl-1-methylpiperidine
• CAS No.: 1557-31-9
• Molecular Formula: C13H19 N
• Molecular Weight: 189.301
• NSC Number: 47966
• UNII: D8C2T8WEY8
• DSSTox Substance ID: DTXSID40286846
• Nikkaji Number: J528.610G
• Wikidata: Q82022671
• ChEMBL ID: CHEMBL358806
• Mol file: 1557-31-9.mol

Synonyms:4-benzyl-1-methylpiperidine;1557-31-9;4-BENZYL-1-METHYL-PIPERIDINE;NSC-47966;CHEMBL1203374;NSC47966;4-Benzyl-N-methylpiperidine;D8C2T8WEY8;SCHEMBL327856;CHEMBL358806;Piperidine, 4-benzyl-1-methyl-;DTXSID40286846;1-Methyl-4-(phenylmethyl)piperidine;BDBM50368523;Piperidine, 1-methyl-4-(phenylmethyl)-

Chemical Property of 4-Benzyl-1-methylpiperidine

Chemical Property:

• Vapor Pressure: 0.00844mmHg at 25°C
• Boiling Point: 266.8°Cat760mmHg
• Flash Point: 105.3°C
• PSA: 3.24000
• Density: 0.966g/cm³
• LogP: 2.50880
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)CC2=CC=CC=C2

Technology Process of 4-Benzyl-1-methylpiperidine

There total 10 articles about 4-Benzyl-1-methylpiperidine 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: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-benzylpyperidine (31252-42-3) → N-methyl-4-benzylpiperidine (1557-31-9)

Guidance literature:

With formic acid; at 0 - 20 ℃; for 16h; Reflux;

DOI:10.1021/acs.orglett.6b02003

Reference yield: 90.0%

4-benzyl-1-methylpyridinium iodide (78815-42-6) → N-methyl-4-benzylpiperidine (1557-31-9)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; for 48h; under 760 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)96488-9

Reference yield: 83.0%

4-benzylpyperidine (31252-42-3) + methyl iodide (74-88-4) → N-methyl-4-benzylpiperidine (1557-31-9)

Guidance literature:

4-benzylpyperidine; With 1-methyl-pyrrolidin-2-one; sodium iodide; Merrifield resin; at 20 ℃; for 65h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 60h;

With morpholine; at 110 ℃; for 10h;

DOI:10.1016/S0040-4039(00)02251-6

upstream raw materials:

methanol

4-benzylpyperidine

formaldehyd

methyl iodide

Downstream raw materials:

VUF 4589

4-benzyl-3-(4-benzyl-1-methyl-2-piperidyl)-1-methyl-1,2,3,4-tetrahydropyridine

(1-methylpiperidin-4-yl)(phenyl)methanone

4-benzyl-1,1-dimethyl-piperidinium; iodide