702641-05-2

Basic information

• Product Name: 2-Iodo-5-(trifluoromethyl)benzyl alcohol
• Synonyms: 2-Iodo-5-(trifluoromethyl)benzyl alcohol;[2-Iodo-5-(trifluoromethyl)phenyl]methanol;5-(Trifluoromethyl)-2-iodobenzyl alcohol;BenzeneMethanol, 2-iodo-5-(trifluoroMethyl)-;[2-Iodo-5-(trifluoromethyl)phenyl]methanol, 3-(Hydroxymethyl)-4-iodobenzotrifluoride;2-iodo-5-(trifluoromethyl)phenyl]methano;(2-Iodo-5-(trifluoromethyl)
• CAS NO: 702641-05-2
• Molecular Formula: C₈H₆F₃IO
• Molecular Weight: 302.0323196
• Product Categories: Fluorine series
• Mol File: 702641-05-2.mol
• Article Data: 15

Chemical Properties

• Melting Point: 81-82℃
• Boiling Point: 271℃
• Flash Point: 118℃
• Appearance: /
• Density: 1.901
• Storage Temp.: 2-8°C(protect from light)
• PKA: 13.82±0.10(Predicted)
• CAS DataBase Reference: 2-Iodo-5-(trifluoromethyl)benzyl alcohol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Iodo-5-(trifluoromethyl)benzyl alcohol(702641-05-2)
• EPA Substance Registry System: 2-Iodo-5-(trifluoromethyl)benzyl alcohol(702641-05-2)

Safety Data

• Hazardous Substances Data: 702641-05-2(Hazardous Substances Data)

Usage

Description

2-Iodo-5-(trifluoromethyl)benzyl alcohol is an organic chemical compound characterized by the molecular formula C8H6F3IO. It features an alcohol functional group, a benzyl group, and a trifluoromethyl group, which contribute to its unique structure and reactivity. This white to off-white solid has a melting point of 42-45°C and exhibits sparing solubility in water, while being soluble in organic solvents such as ethanol and acetone. Its potential in the development of new pharmaceuticals and agrochemicals is attributed to these distinctive properties.

Uses

Used in Organic Synthesis:
2-Iodo-5-(trifluoromethyl)benzyl alcohol is utilized as a reagent in organic synthesis, facilitating the creation of a variety of complex organic molecules. Its unique functional groups allow for versatile reactions and the formation of diverse chemical products.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-Iodo-5-(trifluoromethyl)benzyl alcohol serves as a building block for the synthesis of pharmaceuticals and biologically active compounds. Its incorporation into these molecules can enhance their therapeutic properties and contribute to the development of novel drugs.
Used in Pharmaceutical Development:
2-Iodo-5-(trifluoromethyl)benzyl alcohol is employed in the development of new pharmaceuticals due to its potential to improve the efficacy and selectivity of drug candidates. Its unique structure can be leveraged to design drugs with specific target interactions and reduced side effects.
Used in Agrochemical Development:
Similarly, in agrochemical development, 2-Iodo-5-(trifluoromethyl)benzyl alcohol is used to create new compounds with improved pesticidal or herbicidal properties. Its reactivity and structural features can be harnessed to develop more effective and environmentally friendly agrochemicals.

Upstream product

• 6526-08-5 2-amino-5-(trifluoromethyl)benzonitrile 
• 163444-17-5 2-iodo-4-(trifluoromethyl)aniline 
• 1483-56-3 2-bromo-5-(trifluoromethyl)benzoic acid 
• 868166-20-5 2-iodo-5-(trifluoromethyl)benzonitrile 
• 220107-65-3 2-Amino-5-(trifluoromethyl)benzyl alcohol 
• 702641-04-1 2-iodo-5-(trifluoromethyl)benzoic acid 
• 875446-23-4 2-iodo-5-(trifluoromethyl)benzaldehyde 

Downstream Products

• 702641-06-3 2-(bromomethyl)-1-iodo-4-(trifluoromethyl)benzene 
• 875549-49-8 (+)-(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one 
• 1312671-81-0 (-)-(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one 
• 1312671-76-3 (+)-(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,5-dimethyl-1,3-oxazolidin-2-one 
• 875548-98-4 2'-(bromomethyl)-4-fluoro-2-methoxy-5-(propan-2-yl)-4'-(trifluoromethyl)biphenyl 
• 1312671-75-2 5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one 
• 875446-23-4 2-iodo-5-(trifluoromethyl)benzaldehyde 
• 943917-82-6 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-3'-iodo-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one 
• 943917-81-5 (4S,5R)-3-{[3'-amino-4'-fluoro-4-(trifluoromethyl)biphenyl-2-yl]methyl}-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one 

Relevant articles and documents

Pd(II)-Catalyzed Synthesis of Benzocyclobutenes by β-Methylene-Selective C(sp3)-H Arylation with a Transient Directing Group

Methylene-selective C-H functionalization is a significant hurdle that remains to be addressed in the field of Pd(II) catalysis. We report a Pd(II)-catalyzed synthesis of benzocyclobutenes by methylene-selective C(sp3)-H arylation of ketones. The reaction utilizes glycine as a transient directing group and a 2-pyridone ligand, which may govern the methylene selectivity by making intimate molecular associations with the substrate during concerted metalation-deprotonation. This reaction is shown to be highly selective for intramolecular methylene C(sp3)-H arylation, thus enabling sequential C(sp3)-H functionalization.

Access to chiral tetrahydrofluorenes through a palladium-catalyzed enantioselective tandem intramolecular Heck/Tsuji-Trost reaction

A palladium-catalyzed enantioselective coupling of 2,5-cyclohexadienyl-substituted aryl iodides and carbon or heteroatom nucleophiles is described. The reaction proceeded via a tandem asymmetric Heck insertion and Tsuji-Trost allylation, enabling the rapi

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