59938-06-6

Basic information

• Product Name: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene
• Synonyms: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene;(3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one;trans-4-Ethoxy-1,1,1-trifluoro-3-butene-2-one;(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, E;4-ethoxy-1,1,1-trifluoro-3-butene-2-one
• CAS NO: 59938-06-6
• Molecular Formula: C₆H₇F₃O₂
• Molecular Weight: 166.141
• Mol File: 59938-06-6.mol
• Article Data: 98

Chemical Properties

• Boiling Point: 105℃
• Flash Point: 18℃
• Appearance: /
• Density: 1.191
• Vapor Pressure: 3.63mmHg at 25°C
• Refractive Index: 1.383
• CAS DataBase Reference: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene(59938-06-6)
• EPA Substance Registry System: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene(59938-06-6)

Safety Data

• Hazardous Substances Data: 59938-06-6(Hazardous Substances Data)

Usage

Flammability and Explosibility

Flammable

InChI:InChI=1/C7H9F3O/c1-3-11-5-4-6(2)7(8,9)10/h4-5H,2-3H2,1H3/b5-4+

Upstream product

• 17129-03-2 4-ethoxy-1,1-difluoro-1-nitro-2-trifluoromethyl-but-3-en-2-ol 
• 109-92-2 ethyl vinyl ether 
• 407-25-0 trifluoroacetic anhydride 
• 17128-99-3 2-(difluoro-nitro-methyl)-4-ethoxy-2-trifluoromethyl-oxetane 
• 354-32-5 trifluoracetyl chloride 
• 1095142-49-6 4-chloro-4-ethoxy-1,1,1-trifluoro-3-butan-2-one 
• 109-93-3 1,1'-oxybisethene 
• 400-36-2 trifluoroacetylacetic acid 
• 122-51-0 orthoformic acid triethyl ester 
• 354-34-7 trifluoroacetyl fluoride 
• 421-50-1 1,1,1-trifluoro-2-propanone 
• 76-05-1 trifluoroacetic acid 
• 109-94-4 formic acid ethyl ester 

Downstream Products

• 3108-32-5 (E)-1,1,1-trifluoro-4-phenyl-3-buten-2-one 
• 80768-54-3 (+/-)-E-1,1,1-trifluoro-4-phenylbut-3-en-2-ol 
• 142991-64-8 (Z)-1,1,1-Trifluoro-4-(2-oxo-2-phenyl-ethylamino)-but-3-en-2-one 
• 538308-78-0 4-(ethylamino)-1,1,1-trifluoro-3-buten-2-one 
• 142991-63-7 Phenyl-((Z)-4,4,4-trifluoro-3-oxo-but-1-enylamino)-acetic acid ethyl ester 
• 136547-18-7 4-trifluoromethyl-2-N-(4-N'-acetylaminophenylsulfo)aminopyrimidine 
• 120417-45-0 4-amino-1,1,1-trifluoro-3-butene-2-one 
• 133992-79-7 3-phenyl-2-[(Z)-4,4,4-trifluoro-3-oxo-1-butenylamino]propanoic acid 
• 6192-01-4 (E)-3-ethoxyprop-2-enoic acid 
• 120417-45-0 4-amino-1,1,1-trifluoro-3-buten-2-one 
• 127223-91-0 (Z)-1,1,1-Trifluoro-4-(4-methoxy-phenylamino)-but-3-en-2-one 
• 136547-16-5 4-(trifluoromethyl)pyrimidine 
• 153532-02-6 trans-1,1,1-trifluoro-4-(4-dimethylaminophenyl)-3-buten-2-one 
• 127223-92-1 1-trifluoromethyl-3-(4-nitrophenylamino)prop-2-en-1-one 

Relevant articles and documents

Regioselective synthesis of 2-acetyl- and 2-alkoxycarbonyl-3- (trifluoromethyl)phenols by [3+3] cyclization of 1,3-bis-silyl enol ethers with 4-ethoxy- and 4-silyloxy-1,1,1-trifluoroalk-3-en-2-ones

2-Acetyl- and 2-alkoxycarbonyl-3-(trifluoromethyl)phenols were prepared by [3+3] cyclization of 1,3-bis-silyl enol ethers with 4-ethoxy- and 4-silyloxy-1,1,1-trifluoroalk-3-en-2-ones.

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Continuous preparation method of trifluoromethyl butenone derivative

The invention discloses a continuous preparation method of a trifluoromethyl butenone derivative. The continuous preparation method is characterized in that a raw material 1 as shown in a structure (I) in a reaction formula and trifluoroacetyl halide serving as a raw material 2 react in a microchannel reactor to prepare the trifluoromethyl butenone derivative as shown in a structure (II). The structure (I) and the structure (II) are as described in the specification. In the structure (I) and the structure (II), R is an electron donating group and can be conjugated with olefin double bonds; R1 and R2 are independently selected from hydrogen, C1-C20 alkyl groups, aryl groups, and substituted aryl groups or silyl groups; and X is halogen and is selected from fluorine, chlorine, bromine and iodine. The method has the advantages of good process universality, good atom economy, high yield, few byproducts, high product purity and the like.

2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists

A series consisting of 117 2-(halogenated phenyl) acetamide and propanamide analogs were investigated as TRPV1 antagonists. The structure–activity analysis targeting their three pharmacophoric regions indicated that halogenated phenyl A-region analogs exhibited a broad functional profile ranging from agonism to antagonism. Among the compounds, antagonists 28 and 92 exhibited potent antagonism toward capsaicin for hTRPV1 with Ki[CAP] = 2.6 and 6.9 nM, respectively. Further, antagonist 92 displayed promising analgesic activity in vivo in both phases of the formalin mouse pain model. A molecular modeling study of 92 indicated that the two fluoro groups in the A-region made hydrophobic interactions with the receptor.

KRAS G12C Mutant protein inhibitor and pharmaceutical composition thereof Preparation method and application

The present invention provides compounds having irreversible inhibitor activity G12C mutant KRAS protein, racemates, stereoisomers, pharmaceutically acceptable salts, polymorphs or solvates thereof, the structure of which is shown in formula (I). Also provided are methods related to the preparation and use of such compounds, pharmaceutical compositions comprising such compounds, and methods of modulating G12C mutant KRAS protein activity for treatment of disorders such as cancer.