21757-86-8

Basic information

• Product Name: BenzeneMethanol, 4-broMo-.alpha.-(trichloroMethyl)-
• Synonyms: BenzeneMethanol, 4-broMo-.alpha.-(trichloroMethyl)-
• CAS NO: 21757-86-8
• Molecular Formula: C₈H₆BrCl₃O
• Molecular Weight: 304.39564
• Mol File: 21757-86-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 356.9°Cat760mmHg
• Flash Point: 169.6°C
• Appearance: /
• Density: 1.781g/cm³
• Vapor Pressure: 1.03E-05mmHg at 25°C
• Refractive Index: 1.613
• PKA: 11.72±0.20(Predicted)
• CAS DataBase Reference: BenzeneMethanol, 4-broMo-.alpha.-(trichloroMethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: BenzeneMethanol, 4-broMo-.alpha.-(trichloroMethyl)-(21757-86-8)
• EPA Substance Registry System: BenzeneMethanol, 4-broMo-.alpha.-(trichloroMethyl)-(21757-86-8)

Safety Data

• Hazardous Substances Data: 21757-86-8(Hazardous Substances Data)

Usage

General Description

BenzeneMethanol, 4-broMo-.alpha.-(trichloroMethyl)- is a chemical compound consisting of a benzene ring with a bromine atom and a trichloromethyl group attached to the fourth carbon, along with a hydroxyl group. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. BenzeneMethanol, 4-broMo-.alpha.-(trichloroMethyl)- has potential applications in the field of organic chemistry and drug discovery due to its unique structure and reactivity. However, it should be handled with care as it is considered toxic and harmful if ingested or inhaled.

InChI:InChI=1/C8H6BrCl3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H

Upstream product

• 302-17-0 chloral hydrate 
• 7519-94-0 2,4,6-tris(4-bromophenyl)boroxin 
• 67-66-3 chloroform 
• 1122-91-4 4-bromo-benzaldehyde 
• 106-37-6 1.4-dibromobenzene 
• 75-87-6 chloral 
• 18620-02-5 (4-bromophenyl)magnesium bromide 
• 108-86-1 bromobenzene 
• 650-51-1 sodium trichloroacetate 

Downstream Products

• 6940-50-7 4-bromo-DL-mandelic acid 
• 1122-91-4 4-bromo-benzaldehyde 
• 4209-02-3 1-(4-bromophenyl)-2-chloroethan-1-one 
• 881650-48-2 (Z)-1,4-bis(4-bromophenyl)-2,3-dichlorobut-2-ene-1,4-dione 
• 41262-33-3 1-(4-bromophenyl)-2,2,2-trichloroethan-1-one 
• 1620143-49-8 ethyl 1-(4-bromophenyl)-2,2,2-trichloroethyl carbonate 
• 71570-70-2 C₁₆H₈Br₂Cl₆ 
• 5216-53-5 1,1-dichloro-2,2-bis(p-bromophenyl)ethane 
• 96264-88-9 1-(p-Bromphenyl)-1-<(p-(4-brombenzyl)phenyl)-2,2,2-trichloraethan 
• 59424-80-5 C₁₅H₁₂BrCl₃O 
• 38304-81-3 2-(4-bromo-phenyl)-1,1,1-trichloro-2-(4-chloro-phenyl)-ethane 
• 4714-31-2 1-Brom-4-<1,2,2,2-tetrachlor-ethyl>-benzol 
• 61693-77-4 1-(p-bromophenyl)-2,2-dichloroethanol 
• 126833-44-1 3-(4-Bromo-phenyl)-2,5-bis-ethoxycarbonyl-4-oxo-hexanedioic acid diethyl ester 

Relevant articles and documents

Pd-catalyzed synthesis of 1-(hetero)aryl-2,2,2-trichloroethanols using chloral hydrate and (hetero)arylboroxines

1-(Hetero)aryl-2,2,2-trichloroethanols are useful key intermediates for the synthesis of various bioactive compounds. Herein, we describe N-heterocyclic carbene (NHC)-coordinated cyclometallated palladium complex (CYP)-catalyzed (hetero)aryl addition of chloral hydrate using (hetero)arylboroxines, providing a new approach to 1-(hetero)aryl-2,2,2-trichloroethanols. Notably, PhS-IPent-CYP which coordinated the bulky yet flexible 2,6-di(pentan-3-yl)aniline (IPent)-based NHC showed good catalytic activities and promoted the transformation in 24-97% yields.

Decarboxylative trichloromethylation of aromatic aldehydes and its applications in continuous flow

Two new protocols for the efficient synthesis of 2,2,2- trichloromethylcarbinols, starting from aromatic aldehydes, have been developed. A combination of sodium trichloroacetate in the presence of malonic acid proved efficient for the transformation of el

Copper(I)-promoted synthesis of chloromethyl ketones from trichloromethyl carbinols

(Chemical Equation Presented) Reaction of several trichloromethyl carbinols with 2 equiv of CuCl/bpy in refluxing DCE for 3 h afforded chloromethyl ketones in excellent yield by 1,2-H shift in the copper-chlorocarbenoid intermediate.