(1-Benzylpiperidin-3-yl)methanamine

Base Information

• Chemical Name: (1-Benzylpiperidin-3-yl)methanamine
• CAS No.: 124257-62-1
• Molecular Formula: C13H20 N2
• Molecular Weight: 204.315
• Hs Code.: 2933399090
• European Community (EC) Number: 837-918-3
• DSSTox Substance ID: DTXSID40390093
• ChEMBL ID: CHEMBL4531902
• Mol file: 124257-62-1.mol

Synonyms:(1-benzylpiperidin-3-yl)methanamine;124257-62-1;[(1-benzylpiperidin-3-yl)methyl]amine;1-(1-benzylpiperidin-3-yl)methanamine;C-(1-Benzyl-piperidin-3-yl)-methylamine;SCHEMBL992110;FMOC-(2-INDA)GLY-OH;CHEMBL4531902;DTXSID40390093;BYNIUBOJBWXZCC-UHFFFAOYSA-N;HMS1697K09;ZEA25762;MFCD05668290;STK351847;AKOS000210664;AKOS016341112;c-(1-benzylpiperidin-3-yl)methylamine;1-(1-Benzyl-3-piperidinyl)methanamine;FS-1961;SB50039;BB 0220174;CS-0216592;FT-0677461;FT-0772731;FT-0774110;EN300-52017;(1-benzylpiperidin-3-yl)methanamine, AldrichCPR;A853284;Z326202876

Chemical Property of (1-Benzylpiperidin-3-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.00095mmHg at 25°C
• Boiling Point: 303 °C
• Flash Point: 126 ºC
• PSA: 29.26000
• Density: 1.018
• LogP: 2.49550
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.162648646
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

(1-Benzylpiperidin-3-yl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)CN

Technology Process of (1-Benzylpiperidin-3-yl)methanamine

There total 12 articles about (1-Benzylpiperidin-3-yl)methanamine 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: 37.0%

2-((1-benzylpiperidine-3-yl)methyl)isoindoline-1,3-dione → (±)-(1-benzylpiperidin-3-yl)methanamine (124257-62-1,290363-59-6)

Guidance literature:

With hydrazine; In ethanol; at 60 ℃; for 3h;

DOI:10.3390/molecules25040985

Reference yield:

(±)-1-benzoylpiperidine-3-carboxamide (1378312-69-6) → (±)-(1-benzylpiperidin-3-yl)methanamine (124257-62-1,290363-59-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2014.02.034

Reference yield:

benzyl chloride (100-44-7) → (±)-(1-benzylpiperidin-3-yl)methanamine (124257-62-1,290363-59-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / toluene / 6 h / Heating

2: 57 percent / NaBH₄ / methanol; H₂O / 18 h / Ambient temperature

3: 83 percent / H₂ / 5percent Pd/C / ethanol / Ambient temperature

4: 10percent aq. HCl / 6 h / Heating

With hydrogenchloride; sodium tetrahydroborate; hydrogen; palladium on activated charcoal; In methanol; ethanol; water; toluene;

DOI:10.1248/cpb.43.1137

upstream raw materials:

N-(1-benzylpiperidin-3-yl)methylacetamide

benzyl chloride

N-(pyridin-3-ylmethyl)acetamide

3-<(acetylamino)methyl>-1-benzyltetrahydropyridin-3-ene

Downstream raw materials:

tert-butyl (1-benzylpiperidin-3-yl)methylcarbamate

tert-butyl (piperidin-3-ylmethyl)carbamate

Refernces

• 1、 Ko?ak, Urban,Brus, Boris,Knez, Damijan,?akelj, Simon,Trontelj, Jurij,Pi?lar, Anja,?ink, Roman,Juki?, Marko,?ivin, Marko,Podkowa, Adrian,Nachon, Florian,Brazzolotto, Xavier,Stojan, Jure,Kos, Janko,Coquelle, Nicolas,Sa?at, Kinga,Colletier, Jacques-Philippe,Gobec, Stanislav. "The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity". . p. 119 - 139. Retrieved 2018/01/01.
• 2、 -. "DISUBSTITUTED PIPERIDINE DERIVATIVES AS BUTYRYLCHOLINESTERASE INHIBITORS FOR USE IN THE TREATMENT OF ALZHEIMER". . . Retrieved 2016/10/11.