202134-57-4

Basic information

• Product Name: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• Synonyms: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(Hexafluoro-2-hydroxyisopropyl)benzyl bromide;4-(2-Hydroxyperfluoroprop-2-yl)benzyl bromide;4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, 1-(Bromomethyl)-4-[perfluoro(2-hydroxyprop-2-yl)]benzene;4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, alpha,alpha-Bis(trifluoromethyl)-4-(bromomethyl)benzyl alcohol;2-[4-(Bromomethyl)phenyl]hexafluoropropan-2-ol;Benzenemethanol,4-(bromomethyl)-a,a-bis(trifluoromethyl)-
• CAS NO: 202134-57-4
• Molecular Formula: C₁₀H₇BrF₆O
• Molecular Weight: 337.07
• Mol File: 202134-57-4.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 300.2±42.0 °C(Predicted)
• Appearance: /
• Density: 1.690±0.06 g/cm3(Predicted)
• PKA: 9.10±0.15(Predicted)
• Sensitive: Lachrymatory
• CAS DataBase Reference: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol(202134-57-4)
• EPA Substance Registry System: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol(202134-57-4)

Safety Data

• Hazard Codes: C,T
• Hazardous Substances Data: 202134-57-4(Hazardous Substances Data)

Usage

General Description

2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol, also known by its chemical formula C10H6BrF6O, is a compound featuring a hexafluoropropan-2-ol group attached to a 4-(Bromomethyl)phenyl moiety. It is a halogenated alcohol with potential applications in organic synthesis and chemical reactions. The bromomethyl group in the compound provides reactivity for further functionalization, making it a useful building block for the synthesis of more complex organic molecules. However, due to the presence of bromine and fluorine atoms, it is important to handle this compound with caution and adhere to proper safety protocols when working with it in a laboratory setting.

Upstream product

• 2010-61-9 1,1,1,3,3,3-hexafluoro-2-(p-tolyl)propan-2-ol 

Downstream Products

• 449804-31-3 [4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-acetonitrile 

Relevant articles and documents

Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse Agonists

A new phenyl (3-phenylpyrrolidin-3-yl)sulfone series of RORγt inverse agonists was discovered utilizing the binding conformation of previously reported bicyclic sulfonamide 1. Through a combination of structure-based design and structure-activity relationship studies, a polar set of amides at N1-position of the pyrrolidine ring and perfluoroisopropyl group at para-position of the 3-phenyl group were identified as critical structural elements to achieve high selectivity against PXR, LXRα, and LXRβ. Further optimization led to the discovery of (1R,4r)-4-((R)-3-((4-fluorophenyl)sulfonyl)-3-(4-(perfluoropropan-2-yl)phenyl)pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (26), which displayed excellent selectivity, desirable liability and pharmacokinetic properties in vitro, and a good pharmacokinetic profile in mouse. Oral administration of 26 demonstrated dose-dependent inhibition of IL-17 production in a mouse IL-2/IL-23-induced pharmacodynamic model and biologic-like efficacy in an IL-23-induced mouse acanthosis model.

CARBOCYCLIC SULFONE RORγ MODULATORS

Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

PYRROLIDINYL SULFONE RORGAMMA MODULATORS

Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.