4-Methoxy-alpha-pyrrolidinovalerophenone

Base Information

• Chemical Name: 4-Methoxy-alpha-pyrrolidinovalerophenone
• CAS No.: 14979-97-6
• Molecular Formula: C16H23NO2
• Molecular Weight: 261.364
• UNII: UM9572UF9L
• ChEMBL ID: CHEMBL381127
• DSSTox Substance ID: DTXSID501032718
• Nikkaji Number: J3.331.250D
• Pharos Ligand ID: BQHV1FXRMUQV
• Wikidata: Q21098954
• Wikipedia: 4%27-Methoxy-%CE%B1-pyrrolidinopentiophenone

Synonyms:4-methoxy-alpha-PVP;4-methoxy-alpha-pyrrolidinovalerophenone

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Chemical Property of 4-Methoxy-alpha-pyrrolidinovalerophenone

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 261.172878976
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(=O)C1=CC=C(C=C1)OC)N2CCCC2

Technology Process of 4-Methoxy-alpha-pyrrolidinovalerophenone

There total 4 articles about 4-Methoxy-alpha-pyrrolidinovalerophenone 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:

O-2417 (5537-19-9) → 4'-methoxy-α-pyrrolidinopentiophenone (14979-97-6)

Guidance literature:

With sodium carbonate; In water; pH=7 - 8;

Reference yield:

4'-hydroxyvalerophenone (2589-71-1) → 4'-methoxy-α-pyrrolidinopentiophenone (14979-97-6)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone / Heating

2: AlCl₃; bromine

3: diethyl ether / 22 °C

With aluminium trichloride; bromine; potassium carbonate; In diethyl ether; acetone;

DOI:10.1021/jm050797a

Reference yield:

p-Methoxyvalerophenon (1671-76-7) → 4'-methoxy-α-pyrrolidinopentiophenone (14979-97-6)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃; bromine

2: diethyl ether / 22 °C

With aluminium trichloride; bromine; In diethyl ether;

DOI:10.1021/jm050797a

upstream raw materials:

pyrrolidine

2-bromo-1-(4'-methoxyphenyl)-pentan-1-one

4'-hydroxyvalerophenone

p-Methoxyvalerophenon

Downstream raw materials:

2-pyrrolidin-1-yl-1-(4'-hydroxy-phenyl)-pentan-1-one