2-Butynoic acid,4,4,4-trifluoro-, ethyl ester

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Names

[ Name ]:
2-Butynoic acid,4,4,4-trifluoro-, ethyl ester

[Synonym ]:
ethyl 3-trifluoromethylpropynoate
ethyl trifluoromethylpropiolate
ethyl 4,4,4-trifluoro-2-butynoate
ethyl 4,4,4-trifluobut-2-ynoate
MFCD00192167
ethyl 4,4,4-trifluoro-2-bytynoate
4,4,4-trifluoro-2-butynoic acid ethyl ester

Chemical & Physical Properties

[ Density]:
1.162 g/mL at 25ºC(lit.)

[ Boiling Point ]:
96-98ºC(lit.)

[ Molecular Formula ]:
C₆H₅F₃O₂

[ Molecular Weight ]:
166.09800

[ Flash Point ]:
43 °F

[ Exact Mass ]:
166.02400

[ PSA ]:
26.30000

[ LogP ]:
1.11520

[ Index of Refraction ]:
n20/D 1.350(lit.)

[ Storage condition ]:
2-8℃

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H315-H319-H335

[ Precautionary Statements ]:
P210-P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F: Flammable;Xi: Irritant;

[ Risk Phrases ]:
R11

[ Safety Phrases ]:
16-26-36/37/39

[ RIDADR ]:
UN 3272 3/PG 2

[ Packaging Group ]:
II

[ Hazard Class ]:
3.1

[ HS Code ]:
2916190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE
3,3,3-Trifluoro-1-propyne
Ethyl chloroformate
lithium (trifluoromethyl)acetylide

DownStream

1-Benzyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
ethyl1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
2-(PYRIDIN-2-YL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL
ethyl 3-amino-4,4,4-trifluorobutyrate

Customs

[ HS Code ]: 2916190090

[ Summary ]:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Articles

Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.

J. Nat. Prod. 74(4) , 718-26, (2011)

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 characterizati...

Facile access to stereodefined dienoates and cyclopropylenoates containing a trifluoromethyl group. Wang P-A, et al.

J. Fluor. Chem. 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)

2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2Z)
2-Butenoic acid,4,4,4-trifluoro-, ethyl ester
Ethyl-(2E)-4,4,4-trifluorbut-2-enoat
4,4,4-trifluoro-2-iodo-butan-1-ol
ethyl 2-chloro-4,4,4-trifluorobutanoate
ethyl 2-benzylidene-4,4,4-trifluoro-3-oxobutanoate
3-[3-(Hydroxymethyl)thian-3-yl]-1-methylpyrrolidin-3-ol
2-[(But-3-yn-1-yl)(methyl)amino]-6-chloropyridine-3-carboxylic acid
3-[3-(Hydroxymethyl)thian-3-yl]thian-3-ol
tert-butyl N-[3-(3-hydroxy-2,2-dimethylpropyl)-4-methoxyphenyl]carbamate
2-{Methyl[2-(prop-2-yn-1-yloxy)ethyl]amino}-1,3-thiazole-4-carboxylic acid
3-(3-Methylphenyl)-1-(oxirane-2-carbonyl)pyrrolidine
1-[2-(2-Bromo-3-nitrophenyl)ethyl]cyclopropan-1-ol
N-{[4-(difluoromethoxy)phenyl]methyl}oxirane-2-carboxamide
3-(2-Methoxyphenyl)-1-(oxirane-2-carbonyl)pyrrolidine
rac-(1R,2R)-2-(2,6-dimethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid

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