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

Base Information

• Chemical Name: 1-Benzyl-5-methyl-1,2,3,6-tetrahydropyridine
• CAS No.: 40240-24-2
• Molecular Formula: C13H17N
• Molecular Weight: 187.285
• DSSTox Substance ID: DTXSID30423622
• Nikkaji Number: J1.230.527C
• Wikidata: Q82235867
• Mol file: 40240-24-2.mol

Synonyms:1-Benzyl-5-methyl-1,2,3,6-tetrahydropyridine;40240-24-2;Pyridine, 1,2,3,6-tetrahydro-5-methyl-1-(phenylmethyl)-;SCHEMBL2904840;DTXSID30423622;SB21287;1-benzyl-3-methyl-1,2,5,6-tetrahydropyridine;5-Methyl-1-benzyl-1,2,3,6-tetrahydropyridine;1-benzyl-5-methyl-1,2,3,6-tetrahydro-pyridine

Chemical Property of 1-Benzyl-5-methyl-1,2,3,6-tetrahydropyridine

Chemical Property:

• Boiling Point: 270.2±9.0 °C(Predicted)
• PSA: 3.24000
• Density: 1.000±0.06 g/cm3(Predicted)
• LogP: 2.77650
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCN(C1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-5-methyl-1,2,3,6-tetrahydropyridine

There total 9 articles about 1-Benzyl-5-methyl-1,2,3,6-tetrahydropyridine 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: 94.0%

1-benzyl-3-methylpyridin-1-ium bromide (58416-59-4) → 1-benzyl-5-methyl-1,2,3,6-tetrahydropyridine (40240-24-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; -78 to 0 deg C;

DOI:10.1016/S0040-4039(98)01043-0

Reference yield: 94.0%

1-Benzyl-3-methyl-pyridinium; iodide → 1-benzyl-5-methyl-1,2,3,6-tetrahydropyridine (40240-24-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; -78 to 0 deg C;

DOI:10.1016/S0040-4039(98)01043-0

Reference yield: 86.0%

Benzyl-((E)-hex-3-enyl)-(2-methyl-allyl)-amine (143104-60-3) → 1-benzyl-5-methyl-1,2,3,6-tetrahydropyridine (40240-24-2)

Guidance literature:

With Mo(CHCMe2Ph)2; In benzene; at 20 ℃; for 1h;

upstream raw materials:

Benzyl-((E)-hex-3-enyl)-(2-methyl-allyl)-amine

1-benzyl-3-methylpyridin-1-ium bromide

1-benzyl-3-methyl-piperidin-3-ol

acetonitrile

Downstream raw materials:

1-benzyl-3-methyl-1,2,5,6-tetrahydropyridine N-oxide

1-Benzyl-3-methyl-1,2,5,6-tetrahydro-pyridine-2-carbonitrile

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