1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine

Base Information

• Chemical Name: 1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine
• CAS No.: 32018-56-7
• Molecular Formula: C13H17 N
• Molecular Weight: 187.285
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10423620
• Nikkaji Number: J1.383.504G
• Wikidata: Q72441577
• Mol file: 32018-56-7.mol

Synonyms:1-benzyl-4-methyl-1,2,3,6-tetrahydropyridine;32018-56-7;1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine;1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;Pyridine, 1,2,3,6-tetrahydro-4-methyl-1-(phenylmethyl)-;SCHEMBL1076822;DTXSID10423620;CS-M0732;MFCD09030042;AKOS006288608;AM85724;SB52244;CS-13002;FT-0754200;1-Benzyl-4-methyl-1,2,5,6-tetrahydropyridine;1-benzyl-4-methyl-1,2,5,6-tetrahydro-pyridine;A875742;4-methyl-1-(phenylmethyl)-1,2,3,6-tetrahydropyridine

Chemical Property of 1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 270ºC
• PKA: 8.13±0.40(Predicted)
• Flash Point: 107ºC
• PSA: 3.24000
• Density: 1
• 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:

98%,99%, ^*data from raw suppliers

1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine

There total 14 articles about 1-Benzyl-4-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: 98.99%

1-benzyl-1-bromo-4-methylpyridinium bromide (57042-58-7) → 1-benzyl-4-methyl-1 ,2,3,6-tetrahydropyridine (32018-56-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; water; at 0 - 20 ℃; for 12h;

Reference yield: 97.0%

N-benzyl-2-methyl-2-vinylazetidine (1198423-01-6) → 1-benzyl-4-methyl-1 ,2,3,6-tetrahydropyridine (32018-56-7)

Guidance literature:

With morpholine; bis(η3-allyl-μ-chloropalladium(II)); trifluoroacetic acid; triethyl phosphite; In dichloromethane; for 10h; Reflux;

DOI:10.1002/anie.201100612

Reference yield: 88.0%

1-benzyl-4-methylpyridinium chloride (23662-66-0) → 1-benzyl-4-methyl-1 ,2,3,6-tetrahydropyridine (32018-56-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 15 ℃; for 5h;

upstream raw materials:

1-benzyl-1-bromo-4-methylpyridinium bromide

[Benzyl-(3-methyl-but-3-enyl)-amino]-acetonitrile

1-benzyl-4-methylpyridinium chloride

picoline

Downstream raw materials:

4-methyl-1,2,3,6-tetrahydropyridine

1,1'-(1,2-ethanediyl)bisbenzene

1-Benzyl-4-methyl-3,6-dihydro-2H-pyridine 1-oxide

(3R,4S)-1-benzyl-4-methyl-piperidine-3,4-diol

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES". Paragraph 0440; 0443. . Retrieved 2021/04/23.
• 2、 -. "CEREBLON BINDERS FOR THE DEGRADATION OF IKAROS". Page/Page column 381; 382. . Retrieved 2019/10/23.