30768-94-6

Basic information

• Product Name: 4-(2-BROMO-PENTANOYL)-BENZOIC ACIDMETHYL ESTER
• Synonyms: 4-(2-BROMO-PENTANOYL)-BENZOIC ACIDMETHYL ESTER
• CAS NO: 30768-94-6
• Molecular Formula: C₁₃H₁₅BrO₃
• Molecular Weight: 299.1604
• Mol File: 30768-94-6.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(2-BROMO-PENTANOYL)-BENZOIC ACIDMETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-BROMO-PENTANOYL)-BENZOIC ACIDMETHYL ESTER(30768-94-6)
• EPA Substance Registry System: 4-(2-BROMO-PENTANOYL)-BENZOIC ACIDMETHYL ESTER(30768-94-6)

Safety Data

• Hazardous Substances Data: 30768-94-6(Hazardous Substances Data)

Usage

Common Uses

Intermediate in the synthesis of pharmaceuticals and other organic compounds

Structure

Methyl ester of 4-(2-bromo-pentanoyl)-benzoic acid, derivative of benzoic acid with 2-bromo-pentanoyl group attached to aromatic ring

Applications

Laboratory research, chemical synthesis, reagent, building block for complex organic molecules

Interest to Researchers

Reactive nature, potential as precursor for various compounds, interest in medicinal chemistry, organic synthesis, drug development.

Upstream product

• 30611-21-3 benzoic acid 4-(1-oxopentyl)methyl ester 
• 638-29-9 n-valeryl chloride 
• 7295-44-5 4'-bromovalerophenone 

Relevant articles and documents

1-(4-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one (pyrovalerone) analogues: A promising class of monoamine uptake inhibitors

Dopamine, serotonin, and norepinephrine are essential for neurotransmission in the mammalian system. These three neurotransmitters have been the focus of considerable research because the modulation of their production and their interaction at monoamine receptors has profound effects upon a multitude of pharmacological outcomes. Our interest has focused on neurotransmitter reuptake mechanisms in a search for medications for cocaine abuse. Herein we describe the synthesis and biological evaluation of an array of 2-aminopentanophenones. This array has yielded selective inhibitors of the dopamine and norepinephrine transporters with little effect upon serotonin trafficking. A subset of compounds had no significant affinity at 5HT1A, 5HT1B, 5HT1C, D1, D2, or D3 receptors. The lead compound, racemic 1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one 4a, was resolved into its enantiomers and the S isomer was found to be the most biologically active enantiomer. Among the most potent of these DAT/NET selective compounds are the 1-(3,4-dichlorophenyl)- (4u) and the 1-naphthyl- (4t) 2-pyrrolidin-1-yl-pentan-1-one analogues.

The metabolism of pyrovalerone hydrochloride.

-