869725-53-1

Basic information

• Product Name: 2-Bromo-5-(trifluoromethyl)benzyl alcohol
• Synonyms: 2-BROMO-5-(TRIFLUOROMETHYL)BENZYL ALCOHOL;(2-bromo-5-(trifluoromethyl)phenyl)methanol;4-Bromo-3-(hydroxymethyl)benzotrifluoride;4-Bromo-3-(hydroxymethyl)benzotrifluoride, [2-Bromo-5-(trifluoromethyl)phenyl]methanol;2-Bromo-5-(trifluoromethyl)ben;Benzenemethanol, 2-bromo-5-(trifluoromethyl)-
• CAS NO: 869725-53-1
• Molecular Formula: C₈H₆BrF₃O
• Molecular Weight: 255.03
• Product Categories: Fluorine series
• Mol File: 869725-53-1.mol
• Article Data: 12

Chemical Properties

• Melting Point: 69-71°C
• Boiling Point: 262.6 °C at 760 mmHg
• Flash Point: 112.6 °C
• Appearance: /
• Density: 1.667 g/cm³
• Vapor Pressure: 0.00545mmHg at 25°C
• Refractive Index: 1.505
• Storage Temp.: 2-8°C(protect from light)
• PKA: 13.76±0.10(Predicted)
• CAS DataBase Reference: 2-Bromo-5-(trifluoromethyl)benzyl alcohol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-5-(trifluoromethyl)benzyl alcohol(869725-53-1)
• EPA Substance Registry System: 2-Bromo-5-(trifluoromethyl)benzyl alcohol(869725-53-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 869725-53-1(Hazardous Substances Data)

Usage

General Description

2-Bromo-5-(trifluoromethyl)benzyl alcohol, also known as BTFMBA, is a chemical compound with the molecular formula C8H6BrF3O. It is a white to off-white solid at room temperature and is mainly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. BTFMBA is a versatile building block in organic chemistry and is commonly employed in the production of various specialty chemicals. It is also utilized as a reagent in the preparation of diverse chemical compounds. BTFMBA is a valuable compound in the field of medicinal and agricultural chemistry, as well as in the synthesis of organic materials.

InChI:InChI=1/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2

Upstream product

• 1483-55-2 2-bromo-5-trifluoromethylbenzonitrile 
• 102684-91-3 2-bromo-5-(trifluoromethyl)benzaldehyde 
• 50-00-0 formaldehyd 
• 640280-28-0 1-bromo-2-iodo-4-(trifluoromethyl)benzene 
• 1483-56-3 2-bromo-5-(trifluoromethyl)benzoic acid 

Downstream Products

• 732306-26-2 2-(2-bromo-5-(trifluoromethyl)phenyl)acetonitrile 
• 943917-37-1 C₃₀H₂₄ClF₃O₅S 
• 943917-40-6 C₃₀H₂₂ClF₃O₄ 
• 943917-39-3 C₂₁H₁₃Cl₂F₃O₂ 
• 943915-95-5 methyl 2''-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4'-chloro-2-methyl-4''-(trifluoromethyl)-1,1':3',1''-terphenyl-4-carboxylate 
• 16238-03-2 2-phenyl-5-(trifluoromethyl)benzofuran 
• 875548-97-3 (4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol 

Relevant articles and documents

tBuOK-Promoted Cyclization of Imines with Aryl Halides

A transition-metal-free indole synthesis using radical coupling of 2-halotoluenes and imines via the later-stage C-N bond construction was reported for the first time. It includes an aminyl radical generation by C-H cleaving addition of 2-halotoluenes to imines via the carbanion radical relay and an intramolecular coupling of aryl halides with aminyl radicals. One standard condition can be used for all halides including F, Cl, Br, and I. No extra oxidant or transition metal is required.

Strategy for Overcoming Full Reversibility of Intermolecular Radical Addition to Aldehydes: Tandem C-H and C-O Bonds Cleaving Cyclization of (Phenoxymethyl)arenes with Carbonyls to Benzofurans

An intermolecular addition of carbon radicals enabled by a cascade radical coupling strategy is developed. It includes an intermolecular alkyl radical addition to a carbonyl group followed by an intramolecular alkoxy radical addition to haloarenes and produces substituted benzofurans in high yields. The radical nature of this reaction is explored by radical trapping experiments and EPR analysis. The mechanism is investigated by KIE experiments and control experiments. This method could provide rapid and practical access to the key intermediate of TAM-16, a safe and potent antibacterial agent for treating tuberculosis, and, therefore, is of great importance for organic synthesis and the pharmaceutical industry.

Intermolecular domino reaction of two Aryl iodides involving two C-H functionalizations

A palladium-catalyzed intermolecular cross-coupling of two aryl iodides is reported, giving polycyclic ring systems with a high level of convergence and efficiency. Pendulum Reaction: 1 Pd complex catalyzes the intermolecular reaction of 2 aryl iodides to