1736-56-7

Basic information

• Product Name: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE
• Synonyms: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE;4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE , DRY WT. BASIS;4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE, 98%, DRY WT. BASIS;4-(Trifluoromethyl)phenylglyoxal hydrate, 97+%;2-Oxo-2-(4-(trifluoroMethyl)phenyl)acetaldehyde
• CAS NO: 1736-56-7
• Molecular Formula: C₉H₅F₃O₂
• Molecular Weight: 220.15
• EINECS: -0
• Mol File: 1736-56-7.mol
• Article Data: 14

Chemical Properties

• Melting Point: 83-85°C
• Boiling Point: 223.3°Cat760mmHg
• Flash Point: 84.1°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 0.0971mmHg at 25°C
• BRN: 2261131
• CAS DataBase Reference: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE(1736-56-7)
• EPA Substance Registry System: 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE(1736-56-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 1736-56-7(Hazardous Substances Data)

Usage

General Description

4-(Trifluoromethyl)phenylglyoxal hydrate is a chemical compound with the molecular formula C9H7F3O3. It is a hydrate derivative of phenylglyoxal, a phenyl-substituted aldehyde. The presence of the trifluoromethyl group in this compound makes it highly reactive and useful in organic synthesis. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. 4-(TRIFLUOROMETHYL)PHENYLGLYOXAL HYDRATE has a wide range of applications in chemical and pharmaceutical industries due to its versatile reactivity and potential for creating new molecules. Additionally, it is important to handle this compound with care and follow safety protocols due to its potential health hazards.

InChI:InChI=1/C9H5F3O2.H2O/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13;/h1-5H;1H2

Upstream product

• 709-63-7 1-(4-trifluoromethylphenyl)ethanone 
• 383-53-9 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone 
• 98-08-8 α,α,α-trifluorotoluene 

Downstream Products

• 1029033-96-2 C₁₅H₂₃F₃N₄ 
• 1148028-86-7 (9H-pyrido[3,4-b]indol-1-yl)(4-(trifluoromethyl)phenyl)methanone 
• 1148028-95-8 (6-methyl-9H-pyrido[3,4-b]indol-1-yl)(4-(trifluoromethyl)phenyl)methanone 
• 1148028-91-4 (6-methoxy-9H-pyrido[3,4-b]indol-1-yl)(4-(trifluoromethyl)phenyl)methanone 
• 1244783-60-5 C₃₁H₃₂F₃N₃O₆ 
• 1245707-63-4 C₃₂H₃₉F₃N₆O₆ 

Relevant articles and documents

A novel class for carbonic anhydrases inhibitors and evaluation of their non-zinc binding

In this study, 23 different imidazole derivatives were synthesized, and the inhibitory properties of these derivatives against carbonic anhydrase I and II isoenzymes were investigated for the first time. The inhibition concentrations of the imidazole derivatives were found to be in the range of 2.89–115.5 nM. Docking studies examined the binding properties of the imidazole derivatives, and the structure–activity relationship is discussed. Theoretical calculations showed that the binding mode of the imidazole ring was non-zinc binding.

Stereocontrolled Synthesis of 1,4-Dicarbonyl Compounds by Photochemical Organocatalytic Acyl Radical Addition to Enals

We report a visible-light-mediated organocatalytic strategy for the enantioselective acyl radical conjugate addition to enals, leading to valuable 1,4-dicarbonyl compounds. The process capitalizes upon the excited-state reactivity of 4-acyl-1,4-dihydropyridines that, upon visible-light absorption, can trigger the generation of acyl radicals. By means of a chiral amine catalyst, iminium ion activation of enals ensures a stereoselective radical trap. We also demonstrate how the combination of this acylation process with a second catalyst-controlled bond-forming event allows to selectively access the full matrix of all possible stereoisomers of the resulting 2,3-substituted 1,4-dicarbonyl products.

Visible-light assisted one-pot preparation of aryl glyoxals from acetoarylones via in-situ arylacyl bromides formation: Selenium-free approach to acetoarylones oxidation

A novel visible-light (blue LEDs: hν?=?425?±?15?nm) photocatalyzed one-pot method for the synthesis of electronically diverse aryl glyoxals in good to excellent yields from acetoarylones and green regents such as air, vitamin C and dioxane dibromide has been described. In addition, an application of the current methodology has been demonstrated for the oxidation of monoamine oxidase-B inhibitors, i.e., 1-(4-((4-fluorobenzyl)oxy)phenyl)ethanone and 1-(3-((4-chlorobenzyl)oxy)phenyl)ethanone. This finding may serves as a valuable alternative to the traditional acetoarylones oxidation reactions conducted using selenium dioxide a harmful and unselective reagent known to simultaneously oxidize allylic, benzylic, [sbnd]CH3and so on.