433-26-1

Basic information

• Product Name: 1,1,1-trifluoro-3-diazo-2-oxopropane
• Synonyms: 1,1,1-trifluoro-3-diazo-2-oxopropane
• CAS NO: 433-26-1
• Molecular Weight: 138.049
• Mol File: 433-26-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,1,1-trifluoro-3-diazo-2-oxopropane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-trifluoro-3-diazo-2-oxopropane(433-26-1)
• EPA Substance Registry System: 1,1,1-trifluoro-3-diazo-2-oxopropane(433-26-1)

Safety Data

• Hazardous Substances Data: 433-26-1(Hazardous Substances Data)

Upstream product

• 186581-53-3 diazomethane 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 349-49-5 4-(trifluoromethyl)-1,3-thiazol-2-amine 
• 137929-12-5 2-phenyl-4-(trifluoromethyl)-1,3-thiazole 
• 137929-10-3 4,5-dihydro-2-phenyl-4-(trifluoromethyl)-1,3-thiazol-4-ol 
• 2516-99-6 3,3,3-Trifluoropropionic acid 
• 352-23-8 ethyl 3,3,3-trifluoropropanoate 
• 460-75-3 3,3,3-trifluoropropionamide 
• 3871-81-6 Trifluormethylglyoxal-⁽¹⁾-tricyclohexylphosphazin 

Relevant articles and documents

Preparation, spectroscopic properties, and ion chemistry of 3-diazo-1,1,1-trifluoro-2-propanone

The title compound (1) is prepared in satisfactory yield by reacting CH2N2 with trifuoroacetic anhydride in Et2O; the d-analog was obtained by exchange with D2O. 1H, 13C, 15N, 17O, and 19F NMR spectra of 1 were studied, as well as its IR spectrum. A single isomer is present corresponding to the more stable Z configuration. The structural assignment was made on the basis of quantum mechanical calculations, which revealed that the Z form is some 13.4 kJ mol-1 more stable than the E form and the activation energy for the E → Z transition is 64.2 kJ mol-1. Mass spectra under different experimental conditions were recorded and breakdown pathways of the parent ion of 1 charted.