3-Benzylpiperidin-2-one

Base Information

• Chemical Name: 3-Benzylpiperidin-2-one
• CAS No.: 81976-72-9
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• European Community (EC) Number: 840-734-6
• DSSTox Substance ID: DTXSID501303777
• Nikkaji Number: J2.450.447F
• ChEMBL ID: CHEMBL144481
• Mol file: 81976-72-9.mol

Synonyms:3-benzylpiperidin-2-one;81976-72-9;3-phenylmethyl-2-piperidinone;3-benzyl-2-piperidone;3-benzyl-2-pipe-ridone;3-Benzylpiperidine-2-one;3-phenylmethylpiperid-2-one;CHEMBL144481;SCHEMBL5755963;3-(Phenylmethyl)-2-piperidinone;XVRZLXVKQFICTC-UHFFFAOYSA-N;DTXSID501303777;AKOS033615926;EN300-175068;F2147-8442;Z1255379456

Chemical Property of 3-Benzylpiperidin-2-one

Chemical Property:

• PSA: 29.10000
• LogP: 2.08410
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

3-benzylpiperidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)NC1)CC2=CC=CC=C2

Technology Process of 3-Benzylpiperidin-2-one

There total 10 articles about 3-Benzylpiperidin-2-one 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: 91.0%

5-amino-2-benzyl-pentanoic acid methyl ester; hydrochloride → 3-phenylmethyl-2-piperidinone (81976-72-9)

Guidance literature:

With potassium carbonate; In methanol; for 24h;

DOI:10.1055/s-2006-939726

Reference yield: 69.0%

3-benzyl-3-(ethoxycarbonyl)-2-piperidinone (63930-94-9) → 3-phenylmethyl-2-piperidinone (81976-72-9)

Guidance literature:

With sodium hydroxide; In methanol; water; for 0.5h;

DOI:10.1016/j.tetlet.2007.03.025

Reference yield:

→ 3-benzylpiperidine (13603-25-3) + 3-phenylmethyl-2-piperidinone (81976-72-9)

Guidance literature:

upstream raw materials:

3-benzyl-3-(ethoxycarbonyl)-2-piperidinone

benzyl bromide

3-carboethoxy-2-pyridone

2,3,4,5-tetrahydro-6-methoxypyridine

Downstream raw materials:

3-benzylpiperidine

4-(3-benzyl-2-oxo-piperidin-1-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester

3-benzyl-1-methylpiperidin-2-one