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

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

Downstream Products

• 133992-80-0 (2S)-1-[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]tetrahydro-1H-2-pyrrolecarboxylic acid 
• 228572-71-2 3-Acetylazet-2(1H)-one 
• 202074-27-9 (E)-1,1,1-Trifluoro-4-(1H-2-pyrrolyl)-3-buten-2-one 
• 177545-13-0 5-trifluoromethyl-2,3-dihydro-1,4-diazepine 
• 50650-59-4 4-(trifluoromethyl)-2-pyridone 
• 312615-59-1 2-oxo-6-trifluoromethyl-2H-pyran-3-yl-N-benzamide 
• 333339-64-3 4,4-diethoxy-1,1,1-trifluoro-2-butanone 
• 213128-74-6 (E)-4-(benzyloxy)-1,1,1-trifluoro-3-buten-2-one 
• 1446819-83-5 C₁₇H₁₂F₃N₃O₃ 
• 149771-18-6 2-Methyl-4-trifluoromethyl-pyrimidine 
• 438450-38-5 3-chloro-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridine 

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.

-

-

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.

Preparation method of N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine

The invention belongs to the technical field of medicine synthesis, and particularly relates to a preparation method of N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine, and the preparation method of N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine comprises the following steps: taking trifluoroacetic acid, vinyl ethyl ether, methylsulfonyl chloride and pyridine as raw materials, firstly preparing 4-ethoxy-1, 1, 1-trifluoro-3-butene-2-ketone, carrying out ammonia ammoniation to obtain 4-amino-1, 1, 1-trifluoro-3-butene-2-ketone, then, under the action of sodium hydroxide, reacting with methyl 3-methoxyacrylate to obtain a target product N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine. The adopted raw materials are relatively cheap and easy to obtain, and the method is easy and convenient to operate, safe, feasible, high in cost performance and suitable for industrial production.

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.