120417-45-0

Basic information

• Product Name: 2-Trifluoroacetyl vinyl aMine
• Synonyms: 2-Trifluoroacetyl vinyl aMine;(Z)-4-Amino-1,1,1-trifluoro-3-buten-2-one;4-Amino-1,1,1-trifluorobutenone;4-amino-1,1,1-trifluoro-3-butyn-2-one
• CAS NO: 120417-45-0
• Molecular Formula: C₄H₄F₃NO
• Molecular Weight: 139.0758696
• Mol File: 120417-45-0.mol

Chemical Properties

• Boiling Point: 92-93℃ (15 Torr)
• Appearance: /
• Density: 1.319±0.06 g/cm3(Predicted)
• Refractive Index: 1.4675 (20℃)
• PKA: 4.49±0.70(Predicted)
• CAS DataBase Reference: 2-Trifluoroacetyl vinyl aMine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Trifluoroacetyl vinyl aMine(120417-45-0)
• EPA Substance Registry System: 2-Trifluoroacetyl vinyl aMine(120417-45-0)

Safety Data

• Hazardous Substances Data: 120417-45-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
2-Trifluoroacetyl vinyl amine is utilized as a reagent in the synthesis of various pharmaceuticals. Its high reactivity and ability to form diverse chemical bonds make it a valuable component in the creation of complex drug molecules.
Used in Agrochemical Production:
In the agrochemical industry, 2-Trifluoroacetyl vinyl amine is employed as a reagent for the preparation of different agrochemicals. Its stability and resistance to degradation, conferred by the trifluoroacetyl group, are particularly advantageous in this application, ensuring the longevity and effectiveness of the final products.
Used in Organic Synthesis:
2-Trifluoroacetyl vinyl amine is used as a versatile building block in organic synthesis across various chemical industries. Its capacity to engage in a wide range of chemical reactions and form stable bonds is highly beneficial for the development of new organic compounds and materials.

Upstream product

• 59938-06-6 4-ethoxy-1,1,1-trifluoro-3-butene-2-one 
• 239437-47-9 3,3,4,4,4-Pentafluoro-butyraldehyde 
• 329915-02-8 1,1,1-trifluoro-4-(methylsulfonyl)but-3-ene-2,2-diol 
• 202074-35-9 1,1,1-trifluoro-4-(phenylsulfonyl)but-3-ene-2,2-diol 
• 127223-85-2 ethyl β-(trifluoroacetyl)vinyl sulfide 
• 59938-06-6 (E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one 

Downstream Products

• 13600-43-6 4-(trifluoromethyl)nicotinonitrile 
• 158063-66-2 4-(trifluoromethyl)nicotinic acid 
• 50650-59-4 2-hydroxy-4-(trifluoromethyl)-pyridine 
• 205582-88-3 methyl 2-methyl-6-(trifluoromethyl)nicotinate 
• 205582-84-9 [2-methyl-6-(trifluoromethyl)pyridin-3-yl](phenyl)methanone 
• 127223-88-5 (Z)-4-(N-methylamino)-1,1,1-trifluorobut-3-en-2-one 
• 120417-46-1 1,1,1-trifluoro-4-phthalimido-3-buten-2-one 
• 134219-71-9 1-trifluoromethyl-3-(phenylamino)prop-2-en-1-one 
• 127223-93-2 (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one 

Relevant articles and documents

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The reaction of β-alkoxyvinyl trifluoromethyl ketones with ammonia and primary amines leads to the formation of β-aminovinyl trifluoromethyl ketones RNHCH=CHCOCF3.The data from the IR and NMR spectra of these compounds indicate the presence of a strong in

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Diastereoselectivity and Kinetics of Intermolecular Hetero Diels-Alder Reactions under High Pressure. A Significant Pressure-Induced Increase in Stereoselectivity

The Hetero Diels-Alder reaction of the enamino ketones 5a-d and ethyl vinyl ether (2) to give the dihydropyrans 6a-d and 7a-d is studied in dichloromethane and in heptane/isodurene under high pressure up to 7 kbar at temperatures between 0.5 and 130 deg C.The kinetics is measured by on-line FT-IR spectroscopy.The cycloaddition shows a remarkable pressure-dependent increase of diastereoselectivity in favour of the cis adducts 6a-c with the largest effect found for the reaction of 5a and the smallest for 5c.The pressure-averaged overall activation volumes ΔV(excit.) in dichloromethane are determined to be between -(23.4+/-1.0) and -(24.2+/-1.0) cm3/mol.The ΔΔV(excit.) values for the cycloaddition of 5a, 5b, and 5c are -(5.9+/-0.5), -(3.9+/-0.1), and -(2.4+/-0.2) cm3/mol, respectively, and the ΔΔH(excit.) values are -(8.1+/-1.7), -(8.7+/-2.7), and -(10.0+/-0.9) kJ/mol, respectively.Because of the favourable ΔΔV(excit.) and ΔΔH(excit.), the selectivity of the reaction of 5a to give 6a/7a can be increased from 1.67:1.00 at 90 deg C and 1 bar to 13.6:1.0 at 0.5 deg C and 6 kbar.This example shows that a significant and synthetic useful increase of diastereoselectivity in chemical reactions is possible by applying high pressure. - Keywords: Diastereoselectivity; Hetero Diels-Alder reactions; Enamino ketones; High-pressure kinetics; Pyrans, dihydro-