440-60-8

Basic information

• Product Name: 2,3,4,5,6-Pentafluorobenzyl alcohol
• Synonyms: (2,3,4,5,6-PENTAFLUOROPHENYL)METHANOL;2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL;PENTAFLUOROBENZYL ALCOHOL;PENTAFLUOROPHENYLMETHANOL;RARECHEM AL BD 0017;(Hydroxymethyl)pentafluorobenzene;2,3,4,5,6-pentafluoro-benzenemethano;2,3,4,5,6-pentafluorobenzenemethanol
• CAS NO: 440-60-8
• Molecular Formula: C₇H₃F₅O
• Molecular Weight: 198.09
• EINECS: 207-126-7
• Product Categories: Benzhydrols, Benzyl & Special Alcohols;Alcohols;C7 to C8;Oxygen Compounds
• Mol File: 440-60-8.mol
• Article Data: 27

Chemical Properties

• Melting Point: 37-38 °C(lit.)
• Boiling Point: 114-115 °C60 mm Hg(lit.)
• Flash Point: 190 °F
• Appearance: white crystalline mass
• Density: 1.4485 (estimate)
• Vapor Pressure: 0.115mmHg at 25°C
• Refractive Index: 1.487
• Storage Temp.: Store below +30°C.
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 13.07±0.10(Predicted)
• BRN: 2052669
• CAS DataBase Reference: 2,3,4,5,6-Pentafluorobenzyl alcohol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)
• EPA Substance Registry System: 2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 36-36/37/39-26-22-24/25
• WGK Germany: 3
• RTECS: DP0695000
• HazardClass: IRRITANT
• Hazardous Substances Data: 440-60-8(Hazardous Substances Data)

Usage

Chemical Properties

white crystalline mass

Uses

2,3,4,5,6-Pentafluorobenzyl alcohol was used in the synthesis of pentafluorobenzyloxy substituted metal-free phthalocyanine.

Definition

ChEBI: An organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6.

General Description

Structures of complex of horse liver alchohol dehydrogenase enzyme with 2,3,4,5,6-pentafluorobenzyl alcohol has been investigated by X-ray crystallography.

InChI:InChI=1/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3

Upstream product

• 1548-77-2 2,3,4,5,6-pentafluorobenzylamine 
• 67-56-1 methanol 
• 392-56-3 Hexafluorobenzene 
• 66820-45-9 1-hydroxymethyl-1,2,3,4,5,6-hexafluoro-3,5-cyclohexadiene 
• 137676-33-6 2,3,4,5,6-Pentafluorobenzyl Methyl Sulphoxide 
• 1765-40-8 (bromomethyl)pentafluorobenzene 
• 653-37-2 perfluorobenzaldehyde 
• 653-35-0 2,3,4,5,6-pentafluorobenzyl chloride 
• 2561-28-6 2-((perfluorophenyl)methyl)isoindoline-1,3-dione 
• 344-04-7 bromopentafluorobenzene 
• 771-56-2 2,3,4,5,6-pentafluorotoluene 
• 827-15-6 1,2,3,4,5-pentafluoro-6-iodobenzene 
• 1478-07-5 2,3,4,5,6-pentafluorobenzoyl fluoride 
• 602-94-8 Pentafluorobenzoic acid 

Downstream Products

• 32974-36-0 2,3,4,5,6-Pentafluorbenzyl-toluol-p-sulfonat 
• 53526-74-2 2,3,4,5,6-pentafluorobenzyl chloroformate 
• 94908-35-7 (pentafluorophenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate 
• 121720-32-9 C₂₂H₁₇F₅O₂ 
• 121720-32-9 C₂₂H₁₇F₅O₂ 
• 121720-32-9 C₂₂H₁₇F₅O₂ 
• 121720-32-9 C₂₂H₁₇F₅O₂ 
• 653-37-2 perfluorobenzaldehyde 
• 53072-18-7 2,3,4,5-tetrafluorobenzyl alcohol 
• 83505-67-3 tris(perfluorobenzyl) phosphite 
• 111196-49-7 2,3,4,5,6-pentafluoro-2'-<(methylsulfonyl)oxy>toluene 
• 124434-84-0 (perfluorophenyl)methyl 2-bromoacetate 
• 83505-68-4 perfluorobenzyl benzenesulfenate 
• 135351-90-5 2,4,6-tri(2,3,4,5,6-pentafluorobenzyloxy)benzaldehyde 

Relevant articles and documents

Chemoselective and Site-Selective Reductions Catalyzed by a Supramolecular Host and a Pyridine-Borane Cofactor

Supramolecular catalysts emulate the mechanism of enzymes to achieve large rate accelerations and precise selectivity under mild and aqueous conditions. While significant strides have been made in the supramolecular host-promoted synthesis of small molecules, applications of this reactivity to chemoselective and site-selective modification of complex biomolecules remain virtually unexplored. We report here a supramolecular system where coencapsulation of pyridine-borane with a variety of molecules including enones, ketones, aldehydes, oximes, hydrazones, and imines effects efficient reductions under basic aqueous conditions. Upon subjecting unprotected lysine to the host-mediated reductive amination conditions, we observed excellent ?-selectivity, indicating that differential guest binding within the same molecule is possible without sacrificing reactivity. Inspired by the post-translational modification of complex biomolecules by enzymatic systems, we then applied this supramolecular reaction to the site-selective labeling of a single lysine residue in an 11-amino acid peptide chain and human insulin.

Method for preparing polyfluorobenzyl alcohol

The invention relates to a method for preparing polyfluorobenzyl alcohol, and belongs to the technical field of organic synthesis. The method comprises the following steps: 1. allowing polyfluorobenzoic acid and a dehydrating reagent to a reflux reaction; 2 adding sodium borohydride to a product obtained in step 1 to perform a reduction reaction to obtain the polyfluorobenzyl alcohol. Although themethod provided by the invention requires two steps, the selectivity of the two-step reaction is high, no side reaction exists, no organic three wastes exist, and the yield is also higher than that of the existing method.