3-Benzylpiperidine

Base Information

• Chemical Name: 3-Benzylpiperidine
• CAS No.: 13603-25-3
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• Hs Code.: 2933399090
• European Community (EC) Number: 237-088-7
• DSSTox Substance ID: DTXSID10929233
• Nikkaji Number: J81.652C
• ChEMBL ID: CHEMBL1618229
• Mol file: 13603-25-3.mol

Synonyms:3-Benzylpiperidine;13603-25-3;3-Benzyl-piperidine;Piperidine, 3-(phenylmethyl)-;Piperidine,3-(phenylmethyl)-;CHEMBL1618229;EINECS 237-088-7;3-benzyl piperidine;3-phenylmethylpiperidine;3-(Phenylmethyl)piperidine;(racemic) 3-benzylpiperidine;(+/-)-3-Benzyl-piperidine;SCHEMBL1761058;DTXSID10929233;HMS1698E08;BDBM50259901;MFCD03426127;AKOS000507669;AKOS016343916;AB14787;FS-2649;NCGC00245432-01;AM807243;BB 0253759;CS-0340621;FT-0636926;EN300-70459;AR-527/43467597;F8887-4651;Z969110994

Chemical Property of 3-Benzylpiperidine

Chemical Property:

• Vapor Pressure: 0.00652mmHg at 25°C
• Melting Point: 190 °C
• Boiling Point: 271.2 °C at 760 mmHg
• PKA: 10.45±0.10(Predicted)
• Flash Point: 119 °C
• PSA: 12.03000
• Density: 0.969g/cm³
• LogP: 2.55750
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

3-Benzyl-piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CNC1)CC2=CC=CC=C2
• Uses: 3-Benzylpiperidine is a reagent used in the preparation of Ketanserin analogues in the assessment for their structure-affinity relationships for 5-HT2 and 5-HT1C seretonon receptor binding.

Technology Process of 3-Benzylpiperidine

There total 20 articles about 3-Benzylpiperidine 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: 99.0%

2-bromo-3-[fluoro(phenyl)methyl]pyridine → 3-benzylpiperidine (13603-25-3)

Guidance literature:

2-bromo-3-[fluoro(phenyl)methyl]pyridine; With 5% Rh/C; hydrogen; In methanol; at 25 ℃; under 760.051 Torr;

With potassium hydroxide; In diethyl ether; water; at 25 ℃; for 0.25h;

DOI:10.1016/j.jfluchem.2019.05.006

Reference yield: 97.0%

3-benzylpyridine (620-95-1) → 3-benzylpiperidine (13603-25-3)

Guidance literature:

With platinum(IV) oxide; hydrogen; acetic acid; at 30 ℃;

Reference yield: 89.0%

3-benzyl-piperidine-1-carboxylic acid 2-trimethylsilanyl-ethyl ester (865853-26-5) → 3-benzylpiperidine (13603-25-3)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 90 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.06.171

upstream raw materials:

3-benzylpyridine

3-Benzoylpyridine

3-phenylmethyl-2-piperidinone

pentan-1-ol

Downstream raw materials:

3-benzyl-1-(2,2-dimethyl-2H-chromene-6-sulfonyl)-piperidine

3-phenylmethyl-N-(4'-methoxyphenyl)-acetylpiperidine

3-((R)-2-amino-2-phenyl-ethyl)-5-(3-benzyl-piperidin-1-yl)-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione

Refernces

• 1、 Xu, Peilin,Zhang, Mingkai,Ingoglia, Bryan,Allais, Christophe,Dechert-Schmitt, Anne-Marie R.,Singer, Robert A.,Morken, James P.. "Construction of azacycles by intramolecular amination of organoboronates and organobis(boronates)". . p. 3379 - 3383. Retrieved 2021/05/10.
• 2、 Liu, Zhi-Yun,Wen, Zhi-Hui,Wang, Xiao-Chen. "B(C6F5)3-Catalyzed Cascade Reduction of Pyridines". supporting information. p. 5817 - 5820. Retrieved 2017/05/12.