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

Uses

2-Bromo-4'-(1-pyrrolidinyl)acetophenone is an important raw material and used as pharmaceutical intermediates.

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

• 1196105-18-6 2-(4-(pyrrolidin-1-yl)phenyl)quinoxaline 
• 810662-96-5 N-(3-(methylthio)phenyl)-4-(4-(pyrrolidin-1-yl)phenyl)thiazol-2-amine 
• 901788-03-2 3-(2-nitrophenyl)-2-(2-(4-(4-(pyrrolidin-1-yl)phenyl)thiazol-2-yl)hydrazono)propanoic acid 

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.