75-90-1

Basic information

• Product Name: TRIFLUOROACETALDEHYDE
• Synonyms: TRIFLUOROACETALDEHYDE;Acetaldehyde, trifluoro-;Fluoral;trifluoro-acetaldehyd;Trifluoroethanal;2,2,2-TRIFLUOROACETALDEHYDE;4-(azetidin-1-yl)butanenitrile;2,2,2-Trifluoroethanal
• CAS NO: 75-90-1
• Molecular Formula: C₂HF₃O
• Molecular Weight: 98.02
• EINECS: 200-914-1
• Mol File: 75-90-1.mol
• Article Data: 76

Chemical Properties

• Boiling Point: -20 °C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 4740mmHg at 25°C
• Refractive Index: 1.251
• CAS DataBase Reference: TRIFLUOROACETALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: TRIFLUOROACETALDEHYDE(75-90-1)
• EPA Substance Registry System: TRIFLUOROACETALDEHYDE(75-90-1)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: 1989
• Hazardous Substances Data: 75-90-1(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 75-90-1 differently. You can refer to the following data:
1. 2,2,2-Trifluoroacetaldehyde is used in the synthesis of GABAB agonists which may be used in the therapeutic treatment of pain. Also used in the synthesis of ketone based inhibitors of human renin.
2. Trifluoroacetaldehyde is a reagent used in the synthesis of GABAB activators.

InChI:InChI=1/C2HF3O/c3-2(4,5)1-6/h1H

Upstream product

• 353-85-5 trifluoroacetonitrile 
• 431-46-9 2,2,2-trifluoro-1-methoxy-ethanol 
• 383-63-1 ethyl trifluoroacetate, 
• 129880-37-1 Sodium; 2-ethoxy-2,3,3,3-tetrafluoro-propionate 
• 75-87-6 chloral 
• 431-67-4 1,1-dibromo-3,3,3-trifluoroacetone 
• 35671-83-1 methyl N-acetylmethionine 
• 2314-97-8 iodotrifluoromethane 
• 129171-89-7 1,4-bis<(R)-α-methylbenzyl>-1,4-diaza-1,3-butadiene 
• 7440-66-6 zinc 
• 420-46-2 2,2,2-trifluoroethanol 
• 354-32-5 trifluoracetyl chloride 
• 887144-97-0 Togni's reagent 
• 1712-69-2 1-isopropenyl-4-methoxybenzene 

Downstream Products

• 374-01-6 1,1,1-trifluoroisopropanol 
• 6776-45-0 N-(2,2,2-trifluoro-1-hydroxyethyl)-acetamide 
• 19687-10-6 1-Methylen-2-<1-hydroxy-2,2,2-trifluoraethyl>-cyclohexan 
• 50905-87-8 anti-2-(1'-hydroxy-2',2',2'-trifluoroethyl)cyclohexanone 
• 50905-87-8 syn-2-(1'-hydroxy-2',2',2'-trifluoroethyl)cyclohexanone 
• 31185-54-3 2-trifluoromethyl-oxazolidine 
• 31185-57-6 4,4-dimethyl-2-trifluoromethyl-oxazolidine 
• 98664-42-7 trifluoroacetaldehyde 4-methylphenylhydrazone 
• 512-56-1 trimethyl phosphite 
• 756-79-6 dimethyl methane phosphonate 
• 157200-91-4 (2R,3S)-3-Cyclohex-1-enyl-1,1,1-trifluoro-butan-2-ol 
• 6185-26-8 trifluoroacetyl radical 
• 157200-98-1 1-<3,3,3-trifluoro-1-methyl-1-(E)-propenyl>cyclohexene 
• 177838-10-7 (E)-N-(2,2,2-trifluoroethylidene)-4-methoxyaniline 

Relevant articles and documents

A study of the IR and UV-Vis absorption cross-sections, photolysis and OH-initiated oxidation of CF3CHO and CF3CH2CHO

Infrared and ultraviolet-visible absorption cross-sections, effective quantum yields of photolysis and OH reaction rate coefficients for CF 3CHO and CF3CH2CHO are reported. Relative rate measurements at 298(2) K and 1013(10) hPa, give k(OH + CF3CHO)/k(OH + CH3CH3) = 2.00(13), k(OH + CF3CH 2CHO)/ k(OH + CH3CH2OH) = 1.21(5) and k(OH + CF3CH2CHO)/k(OH + HC(O)OC2H5) = 3.51(9) (2σ). The effective quantum yield of photolysis was measured under pseudo-natural conditions in the European simulation chamber, Valencia, Spain (EUPHORE). Over the wavelength range 290-400 nm, the effective quantum yields of photolysis for CF3CHO and CF3CH2CHO are less than 2 × 10-2 and 4 × 10-2, respectively. The tropospheric lifetimes are estimated to be: τOH(CF3CHO) ～ 26 days; τ photol(CF3CHO) > 27 days; τOH(CF 3CH2CHO) ～ 4 days; τphotol(CF 3CH2CHO) > 15 days.

Breslow Intermediates from a Thiazolin-2-ylidene and Fluorinated Aldehydes: XRD and Solution-Phase NMR Spectroscopic Characterization

The first generation and X-ray diffraction (XRD) analysis of a crystalline Breslow intermediate (BI) derived from a thiazolin-2-ylidene, that is, the aromatic heterocycle present in vitamin B1, is reported. Key to success was the combined use of pentafluorobenzaldehyde and a thiazolin-2-ylidene carrying an enol-stabilizing dispersion energy donor as N-substituent. A so-called primary intermediate (PI) could be isolated in protonated form (pPI) as well and analyzed by XRD. Furthermore, the first stable BI derived from an aromatic thiazolin-2-ylidene and an aliphatic aldehyde (trifluoroacetaldehyde) was prepared and characterized by NMR spectroscopy in solution. When switching to a saturated thiazolidin-2-ylidene, reaction with pentafluorobenzaldehyde afforded a new BI in solution (NMR spectroscopy). Attempts to crystallize the latter BI resulted in the isolation of a novel thiazolidin-2-ylidene dimer that had undergone rearrangement to a hexahydro[1,4]-thiazino[3,2-b]-1,4-thiazine.

Reaction of trifluoroacetaldehyde with some bromoesters

Reformatsky reactions of trifluoroacetaldehyde with lower bromoesters gave their corresponding adducts.The reaction of trifluoroacetaldehyde with methyl 2-(bromomethyl)acrylate gave γ-trifluoromethyl-α-methylene-γ-butyrolactone.

PRODUCTION METHOD OF FLUORINE-CONTAINING UNSATURATED CARBOXYLIC ACID

PROBLEM TO BE SOLVED: To provide a production method of a compound of formula (4), that is, a fluorine-containing unsaturated carboxylic acid, which is industrially preferable, economical, and environmentally friendly. SOLUTION: A production method of a compound of formula (4) includes subjecting a compound of formula (3) to a reaction in the presence of a base (here Rf is a 1-4C perfluoroalkyl). SELECTED DRAWING: None COPYRIGHT: (C)2021,JPO&INPIT

Method for oxidative cracking of compound containing unsaturated double bonds

The invention relates to a method for oxidative cracking of a compound containing unsaturated double bonds. The method comprises the following steps: (A) providing a compound (I) containing unsaturated double bonds, a trifluoromethyl-containing reagent and a catalyst, wherein the catalyst is shown as a formula (II): M(O)mL1yL2z (II), M, L1, L2, m, y, z, R1, R2 and R3 being defined in the specification; and (B) mixing the compound containing the unsaturated double bonds and the trifluoromethyl-containing reagent, and performing an oxidative cracking reaction on the compound containing the unsaturated double bonds in the presence of air or oxygen by using the catalyst to obtain a compound represented by formula (III),.

2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists

A series consisting of 117 2-(halogenated phenyl) acetamide and propanamide analogs were investigated as TRPV1 antagonists. The structure–activity analysis targeting their three pharmacophoric regions indicated that halogenated phenyl A-region analogs exhibited a broad functional profile ranging from agonism to antagonism. Among the compounds, antagonists 28 and 92 exhibited potent antagonism toward capsaicin for hTRPV1 with Ki[CAP] = 2.6 and 6.9 nM, respectively. Further, antagonist 92 displayed promising analgesic activity in vivo in both phases of the formalin mouse pain model. A molecular modeling study of 92 indicated that the two fluoro groups in the A-region made hydrophobic interactions with the receptor.