1-Benzyl-4-methylpiperidine

Base Information

• Chemical Name: 1-Benzyl-4-methylpiperidine
• CAS No.: 14446-71-0
• Molecular Formula: C13H19N
• Molecular Weight: 189.301
• DSSTox Substance ID: DTXSID90398281
• Nikkaji Number: J3.000.613E
• Wikidata: Q82200160
• Pharos Ligand ID: 7QR9GGRGPYKV
• ChEMBL ID: CHEMBL158232
• Mol file: 14446-71-0.mol

Synonyms:1-benzyl-4-methylpiperidine;14446-71-0;Piperidine, 4-methyl-1-(phenylmethyl)-;CHEMBL158232;1-benzyl-4-methyl-piperidine;SCHEMBL156315;DTXSID90398281;1-benzyl-4-methyltetrahydropyridine;BDBM50008579;STK117435;AKOS005399990

Chemical Property of 1-Benzyl-4-methylpiperidine

Chemical Property:

• 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: CC1CCN(CC1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-4-methylpiperidine

There total 7 articles about 1-Benzyl-4-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: 96.2%

4-methylpiperidin (626-58-4) + benzonitrile (100-47-0) → 1-benzyl-4-methylpiperidine (14446-71-0)

Guidance literature:

With hydrogen; In 1,4-dioxane; water; at 100 ℃; for 24h; under 750.075 Torr;

DOI:10.1039/c4cc05132g

Reference yield: 96.0%

3-methylpentane-1,5-diol (4457-71-0) + benzylamine (100-46-9) → 1-benzyl-4-methylpiperidine (14446-71-0)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydrogencarbonate; In toluene; at 110 ℃; for 16h; Microwave irradiation; Inert atmosphere; Sealed tube;

DOI:10.1039/d0cc00903b

Reference yield: 91.0%

4-methylpiperidin (626-58-4) + benzaldehyde (100-52-7) → 1-benzyl-4-methylpiperidine (14446-71-0)

Guidance literature:

With platinum; hydrogen; In ethanol; at 80 ℃; for 3h; under 750.075 Torr; Green chemistry;

DOI:10.1039/c5ra12299f

upstream raw materials:

3-methylpentane-1,5-diol

benzylamine

1,4-dioxane

4-methylpiperidin

Downstream raw materials:

1-benzyl-5,6-dihydro-4-methylpyridin-2(1H)-one