Pyrovalerone

Base Information

• Chemical Name: Pyrovalerone
• CAS No.: 3563-49-3
• Molecular Formula: C16H23 N O
• Molecular Weight: 245.365
• European Community (EC) Number: 803-642-7
• UNII: VOU69C02JP
• DSSTox Substance ID: DTXSID20863194
• Nikkaji Number: J8.659B
• Wikipedia: Pyrovalerone
• Wikidata: Q410824
• NCI Thesaurus Code: C83918
• Pharos Ligand ID: K6XLK7GDTSDZ
• Metabolomics Workbench ID: 144697
• ChEMBL ID: CHEMBL201960
• Mol file: 3563-49-3.mol

Synonyms:1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one;4'-methyl-2-(1-pyrrolidinyl)valerophenone;Centroton;F 1983;pyrovalerone;pyrovalerone hydrochloride

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Pyrovalerone

Chemical Property:

• Vapor Pressure: 1.93E-05mmHg at 25°C
• Boiling Point: 362.4°Cat760mmHg
• Flash Point: 127.3°C
• PSA: 20.31000
• Density: 1.019g/cm³
• LogP: 3.38010
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 245.177964357
• Heavy Atom Count: 18
• Complexity: 262

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)C)N2CCCC2
• Uses: Stimulant (central).

Technology Process of Pyrovalerone

There total 9 articles about Pyrovalerone 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: 68.0%

pyrrolidine (123-75-1) + 1-(p-methylphenyl)-1-pentanol (91763-35-8) → Pyrovalerone (3563-49-3)

Guidance literature:

1-(p-methylphenyl)-1-pentanol; With N-Bromosuccinimide; In 1,4-dioxane;

pyrrolidine; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1021/ol503683q

Reference yield: 65.0%

pyrrolidine (123-75-1) + 2-bromo-1-(4-methylphenyl)pentan-1-one (850352-48-6) → Pyrovalerone (3563-49-3)

Guidance literature:

In water; at 20 ℃; for 24h;

DOI:10.1039/c6ob02200f

Reference yield:

O-2371 (1147-62-2) → Pyrovalerone (3563-49-3)

Guidance literature:

With sodium carbonate; In water; pH=8 - 9;

upstream raw materials:

pyrrolidine

2-bromo-1-(4-methylphenyl)pentan-1-one

n-butyl p-tolyl ketone

n-valeryl chloride

Downstream raw materials:

1-phenyl-3-pyrrolidin-1-yl-2-(p-tolyl)-hexan-2-ol hydrochloride

(R)-2-pyrrolidin-1-yl-1-(p-tolyl)-pentan-1-one dibenzoyl-D-tartrate

Refernces

• 1、 Guha, Somraj,Rajeshkumar, Venkatachalam,Kotha, Surya Srinivas,Sekar, Govindasamy. "A versatile and one-pot strategy to synthesize ?±-amino ketones from benzylic secondary alcohols using N -bromosuccinimide". . p. 406 - 409. Retrieved 2015/03/04.
• 2、 -. "PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF". Page/Page column 29; 41. . Retrieved 2008/06/13.