1-Benzyl-1,2,3,6-tetrahydropyridine hydrochloride

Base Information

• Chemical Name: 1-Benzyl-1,2,3,6-tetrahydropyridine hydrochloride
• CAS No.: 80477-52-7
• Molecular Formula: C12H15 N . Cl H
• Molecular Weight: 209.719
• European Community (EC) Number: 689-722-0
• DSSTox Substance ID: DTXSID90694896
• Mol file: 80477-52-7.mol

Synonyms:80477-52-7;1-benzyl-1,2,3,6-tetrahydropyridine hydrochloride;N-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE;1-benzyl-3,6-dihydro-2H-pyridine hydrochloride;DTXSID90694896;1-benzyl-1,2,3,6-tetrahydropyridine HCl;FT-0699009;1-benzyl-3,6-dihydro-2H-pyridine;hydrochloride;1-benzyl-1,2,3,6-tetrahydropyridinehydrochloride;A839925;1-Benzyl-1,2,3,6-tetrahydropyridine--hydrogen chloride (1/1)

Chemical Property of 1-Benzyl-1,2,3,6-tetrahydropyridine hydrochloride

Chemical Property:

• PSA: 3.24000
• LogP: 3.18840
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 209.0971272
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-1,2,3,6-tetrahydropyridinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC=C1)CC2=CC=CC=C2.Cl

Technology Process of 1-Benzyl-1,2,3,6-tetrahydropyridine hydrochloride

There total 4 articles about 1-Benzyl-1,2,3,6-tetrahydropyridine hydrochloride 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:

1-benzyl-1,2,3,6-tetrahydropyridine (40240-12-8) → 1-phenylmethyl-1,2,3,6-tetrahydropyridine hydrochloride (80477-52-7)

Guidance literature:

With hydrogenchloride; In ethanol;

DOI:10.1016/j.bmc.2011.10.038

Reference yield:

pyridine (110-86-1) → 1-phenylmethyl-1,2,3,6-tetrahydropyridine hydrochloride (80477-52-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 140 °C / Neat (no solvent)

2: methanol; sodium tetrahydroborate / 4 h / 0 °C

3: hydrogenchloride / ethanol

With hydrogenchloride; methanol; sodium tetrahydroborate; In ethanol;

DOI:10.1016/j.bmc.2011.10.038

Reference yield:

N-benzylpyridinium bromide (2589-31-3) → 1-phenylmethyl-1,2,3,6-tetrahydropyridine hydrochloride (80477-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; sodium tetrahydroborate / 4 h / 0 °C

2: hydrogenchloride / ethanol

With hydrogenchloride; methanol; sodium tetrahydroborate; In ethanol;

DOI:10.1016/j.bmc.2011.10.038

upstream raw materials:

pyridine

1-benzyl-1,2,3,6-tetrahydropyridine

N-benzylpyridinium bromide

benzyl bromide

Downstream raw materials:

1-benzylpiperidine-cis-diol acetonide

N-Benzylpiperidine

N⁽¹⁾-benzyl-3,4-dihydroxypiperidine

Refernces