79424-03-6

Basic information

• Product Name: ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE
• Synonyms: 4,4,4-Trifluoro-but-2-ynoic acid ethyl ester;Ethyl4,4,4-trifluorobut-2-ynoate96%;ethyle4, 4, 4-trifluoro-2-butynoate;ethyl (Z)-4,4,4-trifluorobutynoate;ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE;Ethyl-4,4,4-trifluorotetrolate;Ethyl 4,4,4-trifluoro-2-butynoate 97%;Ethyl4,4,4-trifluoro-2-butynoate97%
• CAS NO: 79424-03-6
• Molecular Formula: C₆H₅F₃O₂
• Molecular Weight: 166.1
• Product Categories: C6 to C7;Carbonyl Compounds;Esters
• Mol File: 79424-03-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 96-98 °C(lit.)
• Flash Point: 43 °F
• Appearance: Clear colorless/Liquid
• Density: 1.162 g/mL at 25 °C(lit.)
• Vapor Pressure: 18.2mmHg at 25°C
• Refractive Index: n20/D 1.350(lit.)
• Storage Temp.: Keep Cold
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility: Soluble in water (partly).
• Stability: Volatile
• BRN: 3539414
• CAS DataBase Reference: ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE(79424-03-6)
• EPA Substance Registry System: ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE(79424-03-6)

Safety Data

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39
• RIDADR: UN 3272 3/PG 2
• WGK Germany: 3
• F: 19
• HazardClass: 3.1
• PackingGroup: II
• Hazardous Substances Data: 79424-03-6(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless liquid

Uses

Ethyl 4,4,4-trifluoro-2-butynoate is the suitable reagent used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes. It may be used in the preparation of ethyl (Z)-3-iodo-4,4,4-trifluoro-2-butenoate.

General Description

Ethyl 4,4,4-trifluoro-2-butynoate is an unsymmetrical internal alkyne.

InChI:InChI=1/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3

Upstream product

• 83961-56-2 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanoic acid ethyl ester 
• 14856-86-1 (3,3,3-trifluoroprop-1-yn-1-yl)lithium 
• 541-41-3 chloroformic acid ethyl ester 
• 661-54-1 3,3,3-trifluoroprop-1-yne 

Downstream Products

• 170804-10-1 3-benzylamino-4,4,4-trifluorobut-2-enoic acid ethyl ester 
• 76480-99-4 3-Hydroxy-5-(trifluoromethyl)pyrazole 
• 197218-96-5 (E)-5-(1-Hydroxy-2,2,6-trimethyl-cyclohexyl)-3-trifluoromethyl-pent-2-en-4-ynoic acid ethyl ester 
• 942060-31-3 ethyl 1-(4-methoxybenzyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylate 
• 942060-32-4 ethyl 1-(4-methoxybenzyl)-4-(trifluoromethyl)-1H-1,2,3-triazole-5-carboxylate 

Relevant articles and documents

A high-yield synthesis of 3-carboethoxy-4-trifluoromethylfuran and some Diels-Alder reactions of this furoate with acetylenic dienophiles

The reaction of furan with ethyl 4,4,4-trifluorobut-2-ynoate (1) (1.2:1 molar ratio) in vacuo at 40 deg C gives the 1:1 adduct oxanorbornadiene (3) (70percent) and the 2:1 adduct (5) as the endo, exo (5a) (16percent) and exo, exo (5b) (10percent) isomers;

Towards a biocompatible artificial lung: Covalent functionalization of poly(4-methylpent-1-ene) (TPX) with cRGD pentapeptide

Covalent multistep coating of poly(methylpentene), the membrane material in lung ventilators, by using a copper-free "click" approach with a modified cyclic RGD peptide, leads to a highly biocompatible poly(methylpentene) surface. The resulting modified membrane preserves the required excellent gas-flow properties while being densely seeded with lung endothelial cells.

COMPOUNDS AND METHODS FOR MODULATING FXR

Compounds of formula (I) wherein variables are as defined herein and their pharmaceutical compositions and methods of use are disclosed as useful for treating dyslipidemia and related diseases.