85554-13-8

Basic information

• Product Name: (±)-4-(2-bromo-1-hydroxyethyl)benzonitrile
• Synonyms: (±)-4-(2-bromo-1-hydroxyethyl)benzonitrile
• CAS NO: 85554-13-8
• Molecular Weight: 226.073
• Mol File: 85554-13-8.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 350.7±32.0 °C(Predicted)
• Density: 1.56±0.1 g/cm3(Predicted)
• CAS DataBase Reference: (±)-4-(2-bromo-1-hydroxyethyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (±)-4-(2-bromo-1-hydroxyethyl)benzonitrile(85554-13-8)
• EPA Substance Registry System: (±)-4-(2-bromo-1-hydroxyethyl)benzonitrile(85554-13-8)

Safety Data

• Hazardous Substances Data: 85554-13-8(Hazardous Substances Data)

Usage

Description

(±)-4-(2-bromo-1-hydroxyethyl)benzonitrile is a chemical compound that consists of a benzene ring with a cyano group (C≡N) attached to it, along with a bromine atom and a hydroxyethyl group. It is a derivative of benzonitrile, which is used in the production of various pharmaceuticals and agrochemicals. The addition of the bromine and hydroxyethyl groups can alter the chemical and physical properties of benzonitrile, allowing for the development of new compounds with potential applications in drug discovery and development.

Uses

Used in Pharmaceutical Industry:
(±)-4-(2-bromo-1-hydroxyethyl)benzonitrile is used as an intermediate in the synthesis of various pharmaceuticals for its ability to alter the chemical and physical properties of benzonitrile, leading to the development of new compounds with potential therapeutic applications.
Used in Agrochemical Industry:
(±)-4-(2-bromo-1-hydroxyethyl)benzonitrile is used as a building block in the production of agrochemicals, such as pesticides and herbicides, due to its potential to create new compounds with improved efficacy and selectivity in controlling pests and weeds.
As with any chemical compound, proper handling and safety precautions should be taken when working with (±)-4-(2-bromo-1-hydroxyethyl)benzonitrile to minimize the risk of harm.

Upstream product

• 20099-89-2 4-Cyanophenacyl bromide 
• 101219-69-6 4-(1-hydroxyethyl)benzonitrile 

Downstream Products

• 179694-33-8 (S)-(+)-2-(4-cyanophenyl)oxirane 
• 179694-34-9 (R)-4-(oxiran-2-yl)benzonitrile 
• 1097210-25-7 (S)-4-(2-bromo-1-hydroxyethyl)benzonitrile 
• 96855-39-9 p-cyano-α-(bromomethyl)benzenemethanol 
• 1255944-52-5 2-azido-1-(4-cyanophenyl)-ethanol 
• 1041193-47-8 (S)-2-azido-1-(4-cyanophenyl)ethanol 
• 92521-19-2 (+/-)-4-(2-amino-1-hydroxyethyl)benzonitrile 
• 1184849-79-3 4-[2-({6-[3-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl}amino)-1-hydroxyethyl]benzonitrile 
• 52695-39-3 4-oxiran-2-ylbenzonitrile 
• 1265323-36-1 2-((R)-1-((S)-2-(4-(5-(1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)-2-hydroxyethyl)piperidin-3-yl)acetic acid 
• 1265323-31-6 2-((R)-1-((S)-2-hydroxy-2-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidin-3-yl)acetic acid 
• 1265322-68-6 (S)-1-((S)-2-hydroxy-2-(4-(5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidine-3-carboxylic acid 

Relevant articles and documents

Regioselective Epoxide Ring Opening for the Stereospecific Scale-Up Synthesis of BMS-960, A Potent and Selective Isoxazole-Containing S1P1 Receptor Agonist

This article presents a stereospecific scale-up synthesis of (S)-1-((S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidine-3-carboxylic acid (BMS-960), a potent and selective isoxazole-containing S1P

Synthesis of Di-, Tri-, and tetrasubstituted oxetanes by rhodium-catalyzed O-H insertion and C-C bond-forming cyclization

Oxetanes offer exciting potential as structural motifs and intermediates in drug discovery and materials science. Here an efficient strategy for the synthesis of oxetane rings incorporating pendant functional groups is described. A wide variety of oxetane 2,2-dicarboxylates were accessed in high yields, including functionalized 3-/4-aryl-and alkyl-substituted oxetanes and fused oxetane bicycles. Enantioenriched alcohols provided enantioenriched oxetanes with complete retention of configuration. The oxetane products were further derivatized, while the ring was maintained intact, thus highlighting their potential as building blocks for medicinal chemistry.

SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS

Disclosed are compounds of Formula (I), or a stereoisomer or a pharmaceutically acceptable salt thereof, wherein: A is formula (II) Q is a substituted 5-membered monocyclic heteroaryl group; W is CH2, O, or NH; and R1, R2, R3, R4, R5, R6, m, n, t, and x are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.