3-Phenyl-3-propylpiperidine-2,6-dione

Base Information

• Chemical Name: 3-Phenyl-3-propylpiperidine-2,6-dione
• CAS No.: 21389-09-3
• Molecular Formula: C14H17NO2
• Molecular Weight: 231.29000
• DSSTox Substance ID: DTXSID00532755
• Mol file: 21389-09-3.mol

Synonyms:3-Phenyl-3-propylpiperidine-2,6-dione;21389-09-3;DTXSID00532755

Chemical Property of 3-Phenyl-3-propylpiperidine-2,6-dione

Chemical Property:

• Melting Point: 96-98 °C
• Boiling Point: 404.3±34.0 °C(Predicted)
• PSA: 49.66000
• Density: 1.090±0.06 g/cm3(Predicted)
• LogP: 2.43700
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1(CCC(=O)NC1=O)C2=CC=CC=C2

Technology Process of 3-Phenyl-3-propylpiperidine-2,6-dione

There total 12 articles about 3-Phenyl-3-propylpiperidine-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: 89.0%

4-Cyano-4-phenyl-4-propyl-butyric acid (90355-40-1,90355-41-2,92250-57-2) → (+/-)-3-Phenyl-3-propyl-2,6-piperidinedione (21389-09-3)

Guidance literature:

With sulfuric acid; In acetic acid; at 100 ℃; for 0.666667h;

DOI:10.1002/ardp.19843170413

Reference yield: 88.7%

(+)-4-Cyano-4-phenyl-4-propyl-butyric acid (90355-36-5,90355-40-1,90355-41-2,92250-57-2) → (-)-3-Phenyl-3-propyl-2,6-piperidinedione (21389-09-3,90355-54-7,90373-22-1,90373-23-2)

Guidance literature:

With sulfuric acid; In acetic acid; at 100 ℃; for 0.666667h;

DOI:10.1002/ardp.19843170413

Reference yield: 88.4%

(-)-4-Cyano-4-phenyl-4-propyl-butyric acid (90355-36-5,90355-40-1,90355-41-2,92250-57-2) → (+)-3-Phenyl-3-propyl-2,6-piperidinedione (21389-09-3,90355-54-7,90373-22-1,90373-23-2)

Guidance literature:

With sulfuric acid; In acetic acid; at 100 ℃; for 0.666667h;

DOI:10.1002/ardp.19843170413

upstream raw materials:

4-Cyano-4-phenyl-4-propyl-butyric acid

2-Phenyl-2-propyl-pentanedinitrile

phenylacetonitrile

Methyl 4-cyano-4-phenyl-4-propyl-butyrate

Downstream raw materials:

1-Methyl-3-phenyl-3-propyl-2,6-piperidinedione

(-)-1-Methyl-3-phenyl-3-propyl-2,6-piperidinedione

(+)-1-Methyl-3-phenyl-3-propyl-2,6-piperidinedione

3-(4-Amino-phenyl)-3-propyl-piperidine-2,6-dione