1-Pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl ester

Base Information

• Chemical Name: 1-Pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl ester
• CAS No.: 138030-54-3
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.32
• DSSTox Substance ID: DTXSID40435377
• Wikidata: Q72477095
• Mol file: 138030-54-3.mol

Synonyms:143210-48-4;138030-54-3;1-pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl ester;Ethyl 1-(pyridin-4-ylmethyl)piperidine-4-carboxylate;ethyl 1-((pyridin-4-yl)methyl)piperidine-4-carboxylate;Ethyl 4-(pyridin-4-ylmethyl)piperazine-1-carboxylate;ethyl 1-(4-pyridylmethyl)piperidine-4-carboxylate;Ethyl 1-[(pyridin-4-yl)methyl]piperidine-4-carboxylate;4-Piperidinecarboxylicacid, 1-(4-pyridinylmethyl)-, ethyl ester;SCHEMBL12204641;DTXSID40435377;1-Pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl. ester;AMY15351;AKOS009073995;FT-0654408;FT-0741919;Ethyl4-(pyridin-4-ylmethyl)piperazine-1-carboxylate

Chemical Property of 1-Pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 348.35 °C at 760 mmHg
• Flash Point: 164.477 °C
• PSA: 42.43000
• Density: 1.113 g/cm³
• LogP: 1.79460
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 248.152477885
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

98%min ^*data from raw suppliers

1-(Pyridin-4-yl)propan-2-ylpiperidine-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl ester

There total 1 articles about 1-Pyridin-4-ylmethylpiperidine-4-carboxylic acid ethyl ester 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%

pyridine-4-carbaldehyde (872-85-5) + 4-carbethoxypiperidine (1126-09-6) → 1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid ethyl ester (138030-54-3)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; molecular sieve;

DOI:10.1016/j.bmcl.2010.07.052

Reference yield:

4-benzoylpiperidine (37586-22-4) + 1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid ethyl ester (138030-54-3) → C24H29N3O2 (1246290-34-5)

Guidance literature:

1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid ethyl ester; With lithium hydroxide; In methanol; water;

4-benzoylpiperidine; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1016/j.bmcl.2010.07.052

Reference yield:

1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid ethyl ester (138030-54-3) + 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (1021-25-6) → C25H31N5O2 (1215120-87-8)

Guidance literature:

1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid ethyl ester; With lithium hydroxide; In methanol; water;

1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1016/j.bmcl.2010.07.052

upstream raw materials:

pyridine-4-carbaldehyde

4-carbethoxypiperidine

Downstream raw materials:

C₂₂H₃₄N₄O

C₂₂H₂₈N₄O

C₂₃H₃₀N₄O

C₂₄H₃₁N₃O₂

Refernces

• 1、 -. "PIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF". Page/Page column 33-34. . Retrieved 2008/12/08.
• 2、 Moormann. "Reductive amination of piperidines with aldehydes using borane-pyridine". . p. 789 - 795. Retrieved 2007/10/02.