3-Benzylpiperidine hydrochloride

Base Information

• Chemical Name: 3-Benzylpiperidine hydrochloride
• CAS No.: 193204-22-7
• Molecular Formula: C₁₂H₁₇N*ClH
• Molecular Weight: 211.735
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL1339308
• DSSTox Substance ID: DTXSID60583263
• Mol file: 193204-22-7.mol

Synonyms:3-Benzylpiperidine hydrochloride;193204-22-7;3-BENZYLPIPERIDINE HCL;3-benzylpiperidine;hydrochloride;3-Benzylpiperidine, HCl;MLS000718829;3-Benzylpiperidinehydrochloride;SCHEMBL3914926;CHEMBL1339308;DTXSID60583263;FGNRGDZYDGAZBE-UHFFFAOYSA-N;AR1511;MFCD04113626;AKOS024015272;SB43533;AS-45140;SMR000291097;3-Benzylpiperidine hydrochloride, AldrichCPR;3-Benzylpiperidine--hydrogen chloride (1/1);A925209;F2196-0108

Chemical Property of 3-Benzylpiperidine hydrochloride

Chemical Property:

• PSA: 12.03000
• LogP: 3.35950
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.1127773
• Heavy Atom Count: 14
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

3-BenzylpiperidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)CC2=CC=CC=C2.Cl

Technology Process of 3-Benzylpiperidine hydrochloride

There total 5 articles about 3-Benzylpiperidine 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: 100.0%

tert-butyl 3-benzylpiperidine-1-carboxylate (136423-06-8) → 3-benzyl piperidine hydrochloride (193204-22-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 3h;

DOI:10.1016/j.bmcl.2004.01.059

Reference yield: 92.0%

C20H23NO3 → 2-phenylethanol (60-12-8) + (R)-3-benzylpiperidine hydrochloride (193204-22-7)

Guidance literature:

With hydrogenchloride; 10% palladium hydroxide on charcoal; hydrogen; In methanol; at 60 ℃; for 48h;

DOI:10.1016/j.tetlet.2016.01.086

Reference yield:

N-tert-butoxycarbonyl-3-piperidinol (85275-45-2) → 3-benzyl piperidine hydrochloride (193204-22-7)

Guidance literature:

Multi-step reaction with 4 steps

1: tetrapropylammonium perruthenate; NMO; 4A molecular sieves / CH₂Cl₂; acetonitrile / 1 h

2: n-BuLi / tetrahydrofuran / -78 °C

3: 100 percent / H₂ / Pd/C / methanol / 12 h / 2068.59 Torr

4: 100 percent / HCl / dioxane / 3 h

With hydrogenchloride; n-butyllithium; N-methyl-2-indolinone; tetrapropylammonium perruthennate; 4 A molecular sieve; hydrogen; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; acetonitrile; 2: Wittig reaction;

DOI:10.1016/j.bmcl.2004.01.059

upstream raw materials:

tert-butyl 3-benzylpiperidine-1-carboxylate

N-tert-butoxycarbonyl-3-piperidinol

3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

(3-benzylpiperidin-1-yl)(3-fluoro-4-hydroxyphenyl)methanone

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