1-Benzylpiperidine-2,6-dione

Base Information

• Chemical Name: 1-Benzylpiperidine-2,6-dione
• CAS No.: 42856-43-9
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• Hs Code.: 2925190090
• ChEMBL ID: CHEMBL4972144
• DSSTox Substance ID: DTXSID70522906
• Nikkaji Number: J849.157G
• Wikidata: Q72442772
• Mol file: 42856-43-9.mol

Synonyms:1-benzylpiperidine-2,6-dione;42856-43-9;N-Benzyl-2,6-piperidinedion;SCHEMBL40679;CHEMBL4972144;DTXSID70522906;BCP08010;MFCD00523377;AKOS017344720;D87772;EN300-129339;Z198208350

Chemical Property of 1-Benzylpiperidine-2,6-dione

Chemical Property:

• Vapor Pressure: 9.33E-07mmHg at 25°C
• Melting Point: 48-49 °C
• Refractive Index: 1.578
• Boiling Point: 404.6 °C at 760 mmHg
• Flash Point: 195.2 °C
• PSA: 37.38000
• Density: 1.203g/cm³
• LogP: 1.66360
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

1-benzylpiperidine-2,6-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C(=O)C1)CC2=CC=CC=C2

Technology Process of 1-Benzylpiperidine-2,6-dione

There total 14 articles about 1-Benzylpiperidine-2,6-dione 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%

5-oxo-5-[(phenylmethyl)amino]pentanoic acid (42856-45-1) → 1-benzylpiperidine-2,6-dione (42856-43-9)

Guidance literature:

With ammonium peroxodisulfate; In 1,4-dioxane; dimethyl sulfoxide; at 100 ℃; for 4h;

DOI:10.3762/bjoc.11.113

Reference yield: 97.0%

piperidine-2,6-dione (1121-89-7) + benzyl bromide (100-39-0) → 1-benzylpiperidine-2,6-dione (42856-43-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In acetone; at 20 ℃;

Reference yield: 95.0%

pentanediamide (3424-60-0) + benzyl bromide (100-39-0) → 1-benzylpiperidine-2,6-dione (42856-43-9)

Guidance literature:

pentanediamide; With potassium carbonate; for 1h;

benzyl bromide; In acetone; for 3h; Reflux; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02887

upstream raw materials:

gloutaric dichloride

(benzylimino)triphenylphosphorane

5-oxo-5-[(phenylmethyl)amino]pentanoic acid

glutaric anhydride,

Downstream raw materials:

1-benzyl-6-methoxy-2-piperidinone

1-benzyl-6-ethoxy-2-piperidone

1-benzyl-6-hydroxypiperidin-2-one

1-benzyl-1,2,3,4-tetrahydro-2-pyridinone