Methyl 1-benzyl-6-oxopiperidine-3-carboxylate

Base Information

• Chemical Name: Methyl 1-benzyl-6-oxopiperidine-3-carboxylate
• CAS No.: 156779-11-2
• Molecular Formula: C14H17NO3
• Molecular Weight: 247.294
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID60437252
• Nikkaji Number: J3.444.666K
• Mol file: 156779-11-2.mol

Synonyms:METHYL 1-BENZYL-6-OXOPIPERIDINE-3-CARBOXYLATE;156779-11-2;3-Piperidinecarboxylic acid, 6-oxo-1-(phenylmethyl)-, methyl ester;MFCD16883082;Methyl1-Benzyl-6-oxopiperidine-3-carboxylate;SCHEMBL20488351;DTXSID60437252;AKOS015903575;CS-W003886;SB43611;AS-42872;SY009585;AM20030059;FT-0767015;1-Benzyl-6-oxopiperidine-3-carboxylic acid methyl ester;3-Piperidinecarboxylic acid,6-oxo-1-(phenylmethyl)-,methyl ester

Chemical Property of Methyl 1-benzyl-6-oxopiperidine-3-carboxylate

Chemical Property:

• PSA: 46.61000
• LogP: 1.53610
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 247.12084340
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-benzyl-6-oxopiperidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC(=O)N(C1)CC2=CC=CC=C2

Technology Process of Methyl 1-benzyl-6-oxopiperidine-3-carboxylate

There total 9 articles about Methyl 1-benzyl-6-oxopiperidine-3-carboxylate 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: 98.0%

1,4,5,6-tetrahydro-6-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid methyl ester (156779-10-1) → 1-benzyl-6-oxopiperidine-3-carboxylic acid methyl ester (156779-11-2)

Guidance literature:

With hydrogen; sodium carbonate; palladium on activated charcoal; In ethanol; under 2280 Torr;

DOI:10.1021/jo00092a015

Reference yield: 82.0%

dimethyl 2-methylenepentanedioate (5621-44-3) + benzylamine (100-46-9) → 1-benzyl-6-oxopiperidine-3-carboxylic acid methyl ester (156779-11-2)

Guidance literature:

In methanol; Heating;

DOI:10.1016/j.tet.2008.07.057

Reference yield: 29.0%

methyl 1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxylate → 1-benzyl-6-oxopiperidine-3-carboxylic acid methyl ester (156779-11-2)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 40 ℃; for 24h; under 750.075 Torr;

DOI:10.1016/j.tet.2014.06.046

upstream raw materials:

1,4,5,6-tetrahydro-6-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid methyl ester

(E/Z)-methyl 3-(benzylamino)acrylate

benzylamine

dimethyl 2-methylenepentanedioate

Downstream raw materials:

1-benzyl-6-oxopiperidine-3-carboxylic acid

1-Benzyl-6-thioxo-piperidine-3-carboxylic acid methyl ester

(±)-1-benzyl-5-(hydroxymethyl)piperidin-2-one

methyl (3R)-1-benzyl-6-oxopiperidine-3-carboxylate