1044277-10-2

Basic information

• Product Name: 1-ethyl-1-(trifluoromethyl)-3-(trimethylsilyl)prop-2-yn-1-yl 4-nitrobenzoate
• Synonyms: 1-ethyl-1-(trifluoromethyl)-3-(trimethylsilyl)prop-2-yn-1-yl 4-nitrobenzoate
• CAS NO: 1044277-10-2
• Molecular Weight: 373.404
• Mol File: 1044277-10-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-ethyl-1-(trifluoromethyl)-3-(trimethylsilyl)prop-2-yn-1-yl 4-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ethyl-1-(trifluoromethyl)-3-(trimethylsilyl)prop-2-yn-1-yl 4-nitrobenzoate(1044277-10-2)
• EPA Substance Registry System: 1-ethyl-1-(trifluoromethyl)-3-(trimethylsilyl)prop-2-yn-1-yl 4-nitrobenzoate(1044277-10-2)

Safety Data

• Hazardous Substances Data: 1044277-10-2(Hazardous Substances Data)

Upstream product

• 381-88-4 1,1,1-trifluoro-2-butanone 
• 122-04-3 4-nitro-benzoyl chloride 
• 1066-54-2 trimethylsilylacetylene 
• 1044277-02-2 3-(trifluoromethyl)-1-(trimethylsilyl)pent-1-yn-3-ol 

Downstream Products

• 1044277-05-5 (R)-1-ethyl-1-(trifluoromethyl)prop-2-yn-1-yl 4-nitrobenzoate 
• 1044277-04-4 (S)-1-ethyl-1-(trifluoromethyl)prop-2-yn-1-yl 4-nitrobenzoate 
• 1044277-03-3 1-ethyl-1-(trifluoromethyl)prop-2-yn-1-yl 4-nitrobenzoate 
• 1044277-09-9 (1S)-1-(1-{[4-(3-fluorophenyl)-2-oxo-2H-chromen-7-yl]-methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate 
• 1044277-01-1 (1S)-1-(1-{[4-(3-fluorophenyl)-2-oxo-2H-chromen-7-yl]-methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate 

Relevant articles and documents

Convergent, fit-for-purpose, kilogram-scale synthesis of a 5-lipoxygenase inhibitor

Process research and development of a synthetic route towards a novel 5-lipoxygenase inhibitor is described. The synthetic route provided 1 in 27% yield in nine steps (seven steps in the longest linear sequence) and was performed on kilogram scale. The synthesis began with the preparation of the coumarin core via an efficient von Pechmann condensation. The triazole fragment was obtained via a regioselective copper-catalyzed [3 + 2] cycloaddition between a chiral alkyne and the coumarin azide.