401455
Ethyl 4,4,4-trifluoro-2-butynoate
97%
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About This Item
Linear Formula:
CF3C≡CCO2C2H5
CAS Number:
Molecular Weight:
166.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
3539414
Assay:
97%
Form:
liquid
InChI
1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
SMILES string
CCOC(=O)C#CC(F)(F)F
InChI key
SFDRHPQGYUYYNX-UHFFFAOYSA-N
assay
97%
form
liquid
Quality Level
bp
96-98 °C (lit.)
density
1.162 g/mL at 25 °C (lit.)
functional group
ester, fluoro
Related Categories
General description
Ethyl 4,4,4-trifluoro-2-butynoate is an unsymmetrical internal alkyne.
Application
Ethyl 4,4,4-trifluoro-2-butynoate has been used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes.
It may be used in the synthesis of the following compounds :
It may be used in the synthesis of the following compounds :
- (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(5-(ethoxycarbonyl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate
- (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(6-(ethoxycarbonyl)-5-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1Hbenzo[f]isochromene-7-carboxylate
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
42.8 °F - closed cup
flash_point_c
6 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Facile access to stereodefined dienoates and cyclopropylenoates containing a trifluoromethyl group.
Wang P-A, et al.
Journal of Fluorine Chemistry, 124(1), 93-97 (2003)
Reactivity and Regioselectivity of Insertion of Unsaturated Molecules into M- C (M= Ir, Rh) Bonds of Cyclometalated Complexes.
Li L, et al.
Organometallics, 29(20), 4593-4605 (2010)
Anthony Lozama et al.
Journal of natural products, 74(4), 718-726 (2011-02-23)
As part of our continuing efforts toward more fully understanding the structure-activity relationships of the neoclerodane diterpene salvinorin A, we report the synthesis and biological characterization of unique cycloadducts through [4+2] Diels-Alder cycloaddition. Microwave-assisted methods were developed and successfully employed
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