1-Benzyl-2-oxopiperidin-3-yl acetate

Base Information

• Chemical Name: 1-Benzyl-2-oxopiperidin-3-yl acetate
• CAS No.: 614754-21-1
• Molecular Formula: C14H17NO3
• Molecular Weight: 247.29
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID60465494
• Nikkaji Number: J1.964.694G
• Mol file: 614754-21-1.mol

Synonyms:1-benzyl-2-oxopiperidin-3-yl acetate;614754-21-1;3-(acetyloxy)-1-(phenylmethyl)-2-Piperidinone;(1-benzyl-2-oxopiperidin-3-yl) acetate;1-Benzyl-2-oxopiperidin-3-ylacetate;DTXSID60465494;Ethyl 2,2-dimethylphenyl acetate;A850621;J-504268

Chemical Property of 1-Benzyl-2-oxopiperidin-3-yl acetate

Chemical Property:

• PSA: 46.61000
• LogP: 1.67860
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• 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

1-Benzyl-2-oxopiperidin-3-ylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCCN(C1=O)CC2=CC=CC=C2

Technology Process of 1-Benzyl-2-oxopiperidin-3-yl acetate

There total 4 articles about 1-Benzyl-2-oxopiperidin-3-yl acetate 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: 95.0%

potassium acetate (127-08-2) + 3-bromo-1-benzyl-2-piperidinone (77868-86-1) → 3-acetoxy-1-benzyl-2-piperidinone (614754-21-1)

Guidance literature:

With 18-crown-6 ether; In acetonitrile;

DOI:10.1016/S0957-4166(03)00548-2

Reference yield:

2,5-Dibromopentanoic Acid Bromide (89180-84-7) → 3-acetoxy-1-benzyl-2-piperidinone (614754-21-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / triethylamine / CH₂Cl₂ / 0 - 20 °C

2: 87 percent / sodium hydride

3: 95 percent / 18-crown-6 / acetonitrile

With 18-crown-6 ether; sodium hydride; triethylamine; In dichloromethane; acetonitrile;

DOI:10.1016/S0957-4166(03)00548-2

Reference yield:

N-benzyl-2,5-dibromopentanamide (77868-79-2) → 3-acetoxy-1-benzyl-2-piperidinone (614754-21-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / sodium hydride

2: 95 percent / 18-crown-6 / acetonitrile

With 18-crown-6 ether; sodium hydride; In acetonitrile;

DOI:10.1016/S0957-4166(03)00548-2

upstream raw materials:

potassium acetate

3-bromo-1-benzyl-2-piperidinone

2,5-Dibromopentanoic Acid Bromide

N-benzyl-2,5-dibromopentanamide

Downstream raw materials:

(R)-3-hydroxy-1-benzyl-2-piperidinone

3-hydroxy-1-benzyl-2-piperidinone