4-Piperidineacetaldehyde, 1-(phenylmethyl)-

Base Information

• Chemical Name: 4-Piperidineacetaldehyde, 1-(phenylmethyl)-
• CAS No.: 120014-32-6
• Molecular Formula: C14H19NO
• Molecular Weight: 217.311
• DSSTox Substance ID: DTXSID50434174
• Wikidata: Q82248514
• Mol file: 120014-32-6.mol

Synonyms:120014-32-6;4-Piperidineacetaldehyde, 1-(phenylmethyl)-;1-benzyl-4-piperidineacetaldehyde;SCHEMBL1475576;1-benzyl-4-formylmethylpiperidine;1-benzylpiperidine-4-acetaldehyde;DTXSID50434174;MHGRPEADXUSKAT-UHFFFAOYSA-N;1-Benzyl-4-(2-oxoethyl)piperidine;(1-benzylpiperidin-4-yl)acetaldehyde;FT-0743056

Chemical Property of 4-Piperidineacetaldehyde, 1-(phenylmethyl)-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 203

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1CC=O)CC2=CC=CC=C2

Technology Process of 4-Piperidineacetaldehyde, 1-(phenylmethyl)-

There total 16 articles about 4-Piperidineacetaldehyde, 1-(phenylmethyl)- 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: 87.0%

1-(phenylmethyl)-4-piperidineacetonitrile (78056-67-4) → (1-benzylpiperidin-4-yl)acetaldehyde (120014-32-6)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; for 1.5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.10.001

Reference yield: 85.0%

N-benzyl-4-(2-hydroxyethyl)piperidine (76876-70-5) → (1-benzylpiperidin-4-yl)acetaldehyde (120014-32-6)

Guidance literature:

N-benzyl-4-(2-hydroxyethyl)piperidine; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h;

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 1h;

DOI:10.1016/j.bmc.2017.02.048

Reference yield: 78.0%

1-benzyl-4-(methoxyethenyl)piperidine (137996-00-0) → (1-benzylpiperidin-4-yl)acetaldehyde (120014-32-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 17h; Ambient temperature;

DOI:10.1021/jm00101a012

upstream raw materials:

1-(phenylmethyl)-4-piperidineacetonitrile

N-benzyl-4-(2-hydroxyethyl)piperidine

1-benzyl-4-(methoxyethenyl)piperidine

4-carbethoxypiperidine

Downstream raw materials:

2-(1-Benzyl-piperidin-4-yl)-1-(4-methylsulfanyl-phenyl)-ethanol

2-(1-Benzyl-piperidin-4-yl)-1-(4-trifluoromethyl-phenyl)-ethanol

N-t-butoxycarbonyl-4-[4-(1-benzylpiperidin-4-yl)-3-hydroxybutanoyl]aniline

2-(1-Benzylpiperidin-4-yl)-1-(2-methoxyphenyl)ethanol