460-40-2

Basic information

• Product Name: 3,3,3-Trifluoropropanal
• Synonyms: 3,3,3-Trifluoropropionaldehyde, 3,3,3-Trifluoropropaldehyde;3,3,3-Trifluoropropanal hydrate;3,3,3-Trifluoropropionaldehyde hydrate, 3,3,3-Trifluoropropaldehyde hydrate;3,3,3-Trifluoropropal;ART-CHEM-BB B014012;3,3,3-TRIFLUOROPROPANAL;3,3,3-TRIFLUOROPROPIONALDEHYDE;AKOS B014012
• CAS NO: 460-40-2
• Molecular Formula: C₃H₃F₃O
• Molecular Weight: 112.05
• Product Categories: Fluorochemicals
• Mol File: 460-40-2.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 56°C
• Appearance: /
• Density: 1.301
• Vapor Pressure: 1410mmHg at 25°C
• Refractive Index: 1.309
• CAS DataBase Reference: 3,3,3-Trifluoropropanal(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3,3-Trifluoropropanal(460-40-2)
• EPA Substance Registry System: 3,3,3-Trifluoropropanal(460-40-2)

Safety Data

• Hazard Codes: Xi,F
• Statements: 10
• Safety Statements: 16
• RIDADR: 1993
• RTECS: UE2801000
• Hazardous Substances Data: 460-40-2(Hazardous Substances Data)

Usage

General Description

3,3,3-Trifluoropropanal is a chemical compound with the molecular formula C3H3F3O. It is a colorless liquid with a pungent odor, and is classified as an aldehyde. This chemical is primarily used as an intermediate in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. It is also used as a building block for the synthesis of complex organic molecules. 3,3,3-Trifluoropropanal has potential risks to human health and the environment, and should be handled with care and in accordance with safety guidelines.

InChI:InChI=1/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3

Upstream product

• 26885-67-6 E/Z-1-methoxy-3,3,3-trifluoropropene 
• 2240-88-2 3,3,3-Trifluoropropanol 
• 126015-38-1 1-ethoxy-3,3,3-trifluoro-1-propene 
• 685-03-0 (1,3,3,3-tetrafluoro-2-trifluoromethyl-propenyl)-phosphonic acid diethyl ester 
• 359-41-1 1,1,1-trifluoro-2,3-epoxypropane 
• 661-54-1 3,3,3-trifluoroprop-1-yne 
• 7664-93-9 sulfuric acid 
• 110-89-4 piperidine 
• 102687-65-0 trans-1-chloro-3,3,3-trifluoropropene 
• 406-87-1 4,4,4-trifluorobutanal 
• 688-29-9 1,1-diethoxy-3,3,3-trifluoropropane 
• 116586-94-8 3,3,3-trifluoropropanal dimethyl acetal 
• 677-21-4 1,1,1-trifluoropropylene 
• 936107-87-8 3,3,3-trifluoro-1-(3,3,3-trifluoro-1-hydroxypropoxy)propan-1-ol 

Downstream Products

• 438-36-8 5,5,5',5'-tetramethyl-2,2'-(3,3,3-trifluoro-propylidene)-bis-cyclohexane-1,3-dione 
• 446-01-5 3,3,3-trifluoro-propionaldehyde-(2,4-dinitro-phenylhydrazone) 
• 52222-73-8 4-(trifluoromethyl)-1H-pyrazole 
• 603143-04-0 2-benzyloxycarbonylamino-5,5,5-trifluoro-pent-2-enoic acid methyl ester 
• 835883-54-0 7-iodo-9-(3',3',3'-trifluoro-propylamino)-methyl-sancycline 
• 357402-81-4 4-Chloro-5-fluoro-2-[[(1R)-1-phenyl-3-[(3 3.3-trifluoropropyl)amino]propyl]oxy]benzonitrile trifluoroacetate 
• 577712-98-2 (4R,9AR)-4-methyl-6-((RS)-3,3,3-trifluoro-1-hydroxy-propyl)-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester 
• 2516-99-6 3,3,3-Trifluoropropionic acid 
• 769169-30-4 (4R)-4-Benzyl-3-[(2E)-5,5,5-trifluoropent-2-enoyl]1,3-oxazolidin-2-one 
• 769169-09-7 (4S)-4-Benzyl-3-[(2E)-5, 5, 5-trifluoropent-2-enoyl]1,3-oxazolidin-2-one 
• 1035265-55-4 2-(4-chlorophenyl)-5-{3-methoxy-4-[1-(3,3,3-trifluoropropyl)azetidin-3-yloxy]phenyl}-5H-thiazolo[5,4-c]pyridin-4-one 
• 936107-87-8 3,3,3-trifluoro-1-(3,3,3-trifluoro-1-hydroxypropoxy)propan-1-ol 
• 936107-88-9 C₉H₉F₉O₃ 
• 1046788-57-1 ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate 

Relevant articles and documents

Preparation method of 3,3,3-trifluoropropionaldehyde

The invention discloses a preparation method of 3,3,3-trifluoropropionaldehyde.The method comprises the steps that 1,1-dialkoxyl-3,3,3-trifluoropropane (CF3CH2CH(OR)2), acetic acid and a catalyst are added into a three-mouth flask, the temperature is increased to 90 DEG C-140 DEG C, and reacting under stirring is performed for 2 h-8 h, wherein R in 1,1-dialkoxyl-3,3,3-trifluoropropane (CF3CH2CH(OR)2) is selected from CH3, C2H5C3H7, C4H9, C5H11, C6H13, C7H15, C8H17, C9H19 and C10H21, the catalyst is selected from sulfuric acid, hydrochloric acid, p-toluenesulfonic acid, methanesulfonic acid and trifluoroacetic acid, and the mole ratio of 1,1-dialkoxyl-3,3,3-trifluoropropane to acetic acid to the catalyst is 1:(2-2.5):(0.1-0.6).

Alternative synthetic routes to hydrofluoroolefins

A series of hydrofluoroolefins with -CF=CH2, -CH=CHF and -CH=CF2 groups were designed and prepared via various synthetic routes, including HX or BrF elimination, Wittig-type olefination or fluorination using SF4.

Reaction of HppE with substrate analogues: Evidence for carbon-phosphorus bond cleavage by a carbocation rearrangement

(S)-2-Hydroxypropylphosphonic acid ((S)-2-HPP) epoxidase (HppE) is an unusual mononuclear non-heme iron enzyme that catalyzes the oxidative epoxidation of (S)-2-HPP in the biosynthesis of the antibiotic fosfomycin. Recently, HppE has been shown to accept (R)-1-hydroxypropylphosphonic acid as a substrate and convert it to an aldehyde product in a reaction involving a biologically unprecedented 1,2-phosphono migration. In this study, a series of substrate analogues were designed, synthesized, and used as mechanistic probes to study this novel enzymatic transformation. The resulting data, together with insights obtained from density functional theory calculations, are consistent with a mechanism of HppE-catalyzed phosphono group migration that involves the formation of a carbocation intermediate. As such, this reaction represents a new paradigm for biological C-P bond cleavage.