3-(Piperidin-1-ylmethyl)benzaldehyde

Base Information

• Chemical Name: 3-(Piperidin-1-ylmethyl)benzaldehyde
• CAS No.: 471930-01-5
• Molecular Formula: C13H17NO
• Molecular Weight: 203.28
• DSSTox Substance ID: DTXSID90428214
• Nikkaji Number: J3.449.076G
• Wikidata: Q82241013
• Mol file: 471930-01-5.mol

Synonyms:3-(piperidin-1-ylmethyl)benzaldehyde;471930-01-5;3-(piperidinomethyl)benzaldehyde;SCHEMBL7656309;DTXSID90428214;3-(1-Piperidinyl)methylbenzaldehyde;1-(3-Carboxaldehydebenzyl)piperidine;MFCD07782418;AKOS015968450;3-[(piperidin-1-yl)methyl]benzaldehyde;MS-22338;3-(Piperidinomethyl)benzaldehyde, AldrichCPR;CS-0359633;FT-0644710;A827167

Chemical Property of 3-(Piperidin-1-ylmethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.000589mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 310.7°Cat760mmHg
• Flash Point: 111.2°C
• PSA: 20.31000
• Density: 1.084g/cm³
• LogP: 2.42290
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

3-(piperidinomethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CC(=CC=C2)C=O

Technology Process of 3-(Piperidin-1-ylmethyl)benzaldehyde

There total 6 articles about 3-(Piperidin-1-ylmethyl)benzaldehyde 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: 43.9%

methyl 3-[(piperidin-1-yl)methyl]-benzoate (73278-90-7) → 3-[(piperidin-1-yl)methyl]-benzaldehyde (471930-01-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; pentane; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2008.03.003

Reference yield:

3-(1-piperidinylmethyl)benzenemethanol (73278-91-8) → 3-[(piperidin-1-yl)methyl]-benzaldehyde (471930-01-5)

Guidance literature:

With manganese(IV) oxide; In diethyl ether; at 20 ℃; for 12h;

DOI:10.1021/acs.jmedchem.5b00511

Reference yield:

piperidine (110-89-4) → 3-[(piperidin-1-yl)methyl]-benzaldehyde (471930-01-5)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium tris(acetoxy)borohydride / dichloromethane / 1.5 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 1.5 h / 20 °C / Inert atmosphere

3: manganese(IV) oxide / diethyl ether / 12 h / 20 °C

With manganese(IV) oxide; lithium aluminium tetrahydride; sodium tris(acetoxy)borohydride; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1021/acs.jmedchem.5b00511

upstream raw materials:

methyl 3-[(piperidin-1-yl)methyl]-benzoate

piperidine

Methyl 3-formylbenzoate

3-(1-piperidinylmethyl)benzenemethanol

Downstream raw materials:

(E)-5,6-dimethoxy-2-{3-[(piperidin-1-yl)methyl]-benzylidene}-2,3-dihydroinden-1-one