573979-96-1

Basic information

• Product Name: Benzoic acid, 4-(3,3,3-trifluoro-1-propynyl)-, ethyl ester
• Synonyms: p-EtO2C-C6H4CCCF3
• CAS NO: 573979-96-1
• Molecular Formula: C12H9F3O2
• Molecular Weight: 242.197
• Mol File: 573979-96-1.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(3,3,3-trifluoro-1-propynyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(3,3,3-trifluoro-1-propynyl)-, ethyl ester(573979-96-1)
• EPA Substance Registry System: Benzoic acid, 4-(3,3,3-trifluoro-1-propynyl)-, ethyl ester(573979-96-1)

Safety Data

• Hazardous Substances Data: 573979-96-1(Hazardous Substances Data)

Upstream product

• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 77152-08-0 trifluoromethylcopper(I) 
• 10602-03-6 ethyl 4-ethynylbenzoate 
• 1580514-95-9 C₁₁H₉BF₃O₂^(1-)*K⁽¹⁺⁾ 
• 2926-29-6 Langlois reagent 
• 51934-41-9 4-iodobenzoic acid ethyl ester 
• 672339-38-7 (Z)-2,3,3,3-tetrafluoro-1-iodoprop-1-ene 
• 1514-82-5 2-bromo-3,3,3-trifluoropropene 

Downstream Products

• 1147879-77-3 (E)-ethyl 4-(2-triethylsilyl-3,3,3-trifluoropropenyl)-benzoate 
• 1147879-92-2 (E)-ethyl 4-(1-triethylsilyl-3,3,3-trifluoropropenyl)-benzoate 
• 1225288-99-2 3,5,6-tris(4-ethoxycarbonylphenyl)-1,2,4-tris(trifluoromethyl)benzene 

Relevant articles and documents

Domino Hydroboration/Trifluoromethylation of Alkynes Using Fluoroform-Derived [CuCF3]

A domino hydroboration/trifluoromethylation (formal hydrotrifluoromethylation) of alkynes using the fluoroform-derived [CuCF3] reagent is achieved. Synthetically useful (E)-alkenyl-CF3 building blocks and 1,1-bis(trifluoromethyl)-substituted alkenes can be prepared under ambient conditions in one pot/one step from alkynes. The ultimate source of CF3 is the inexpensive industrial waste fluoroform.

Cu(I)/Ag(I)-mediated decarboxylative trifluoromethylation of arylpropiolic acids with Me3SiCF3at room temperature

A novel Cu(I)/Ag(I)-mediated decarboxylative trifluoromethylation of arylpropiolic acids with Me3SiCF3has been developed for the construction of Csp-CF3bond under mild conditions. This method proceeds smoothly at room temperature and shows a widely functional compatibility, providing a series of corresponding trifluoromethylated acetylenyl-containing aromatics in good yields.

Selective synthesis of trisubstituted (trifluoromethyl)alkenes: Via ligand-free Cu-catalyzed syn hydroarylation, hydroalkenylation and hydroallylation of (trifluoromethyl)alkynes

In the presence of catalytic amounts of Cu(OAc)2, the hydroarylation of (trifluoromethyl)alkynes with arylboronic acids proceeded in MeOH at 28 °C to afford diverse β-(trifluoromethyl)styrenes. Moreover, the hydroalkenylation and hydroallylation of a (trifluoromethyl)alkyne using styryl- and allylboronates afforded trifluoromethylated 1,3- and 1,4-dienes.