216144-18-2

Basic information

• Product Name: ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE
• Synonyms: LABOTEST-BB LT00454830;ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE;4-(1-Pyrrolidino)phenacyl bromide;2-BROMO-1-(4-PYRROLIDIN-1-YLPHENYL)ETHANONE;1-[4-(Bromoacetyl)phenyl]pyrrolidine;2-Bromo-1-(4-pyrrolidin-1-ylphenyl)ethan-1-one, 4-(Pyrrolidin-1-yl)phenacyl bromide;2-bromo-4'-(1-pyrrolidino)acetophenone;1-[4-(Bromoacetyl)phenyl]pyrrolidine 97%
• CAS NO: 216144-18-2
• Molecular Formula: C₁₂H₁₄BrNO
• Molecular Weight: 268.15
• EINECS: -0
• Product Categories: blocks;Bromides;Heterocycles
• Mol File: 216144-18-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 120-122°C
• Boiling Point: 386.6 °C at 760 mmHg
• Flash Point: 187.6 °C
• Appearance: /
• Density: 1.421 g/cm³
• Vapor Pressure: 3.51E-06mmHg at 25°C
• Refractive Index: 1.596
• PKA: 2.12±0.40(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 8549816
• CAS DataBase Reference: ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE(216144-18-2)
• EPA Substance Registry System: ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE(216144-18-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: 8
• Hazardous Substances Data: 216144-18-2(Hazardous Substances Data)

Usage

Description

ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE, also known as 2-Bromo-4'-(1-pyrrolidinyl)acetophenone, is an organic compound that serves as a crucial raw material in the synthesis of various pharmaceuticals. Its unique chemical structure, featuring a bromo and pyrrolidino group, makes it a versatile intermediate for the development of new drugs and therapeutic agents.

Uses

Used in Pharmaceutical Industry:
ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE is used as a pharmaceutical intermediate for the synthesis of various drugs and therapeutic agents. Its unique chemical structure allows for the development of new compounds with potential applications in treating a wide range of medical conditions.
As a pharmaceutical intermediate, ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE plays a critical role in the synthesis of drugs with diverse therapeutic properties. Its versatility in chemical reactions enables the creation of new molecules with improved pharmacological profiles, including enhanced efficacy, selectivity, and safety. This makes it an invaluable component in the ongoing pursuit of innovative treatments for various diseases and disorders.

InChI:InChI=1/C12H14BrNO/c13-9-12(15)10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6H,1-2,7-9H2

Upstream product

• 21557-09-5 N-(4-acetylphenyl)pyrrolidine 

Downstream Products

• 1027290-33-0 [2-oxo-2-(4-pyrrolidin-1-yl-phenyl)-ethylamino]-acetic acid ethyl ester 
• 579466-92-5 {benzyloxycarbonyl-[2-oxo-2-(4-pyrrolidin-1-yl-phenyl)-ethyl]-amino}-acetic acid 
• 713077-19-1 1-(4-pyrrolidin-1-yl-phenacyl)-quinolinium bromide 

Relevant articles and documents

Nucleus-independent chemical shift (NICS) as a criterion for the design of new antifungal benzofuranones

The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-4-ones. A linear regression analysis of NICS and antifungal activity showed that both tested variables were significantly related (p –1 for Candida glabrata, Candida krusei and Candida guilliermondii with compounds 15-32, 15-15 and 15-1. The MIC for filamentous fungi was 1.95 μg·mL–1 for Aspergillus niger for compounds 15-1, 15-33 and 15-34. The results obtained support the use of NICS in the molecular design of compounds with antifungal activity.

Butyl 2-(4-[1.1′-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate, a potent sodium channel blocker for the treatment of neuropathic pain

A series of 4-arylimidazole carbamates was synthesized and their binding affinities to the site-2 sodium (Na+) channel were determined. SAR studies led to the identification of compound 10, a potent Na+ channel blocker which was efficacious in pain models in vivo.