80992-93-4

Basic information

• Product Name: 1-[4-(TRIFLUOROMETHYL)PHENYL]BUT-1-EN-3-ONE
• Synonyms: 1-[4-(Trifluoromethyl)phenyl]but-1-en-3-one97%;4-[4-(trifluoromethyl)phenyl]but-3-en-2-one;1-[4-(Trifluoromethyl)phenyl]-1-buten-3-one;4-[4-(Trifluoromethyl)phenyl]-3-buten-2-one;[4-(Trifluoromethyl)benzylidene]acetone, 4-(3-Oxobut-1-en-1-yl)benzotrifluoride;4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one 97%;4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one97%;(3Z)-4-[4-(Trifluoromethyl)phenyl]-3-buten-2-one
• CAS NO: 80992-93-4
• Molecular Formula: C₁₁H₉F₃O
• Molecular Weight: 214.18
• Mol File: 80992-93-4.mol
• Article Data: 24

Chemical Properties

• Boiling Point: 118 °C
• Flash Point: 120℃
• Appearance: /
• Density: 1.206
• Vapor Pressure: 0.0107mmHg at 25°C
• Refractive Index: 1.495
• CAS DataBase Reference: 1-[4-(TRIFLUOROMETHYL)PHENYL]BUT-1-EN-3-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4-(TRIFLUOROMETHYL)PHENYL]BUT-1-EN-3-ONE(80992-93-4)
• EPA Substance Registry System: 1-[4-(TRIFLUOROMETHYL)PHENYL]BUT-1-EN-3-ONE(80992-93-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 80992-93-4(Hazardous Substances Data)

Usage

General Description

1-[4-(Trifluoromethyl)phenyl]but-1-en-3-one is a chemical compound with the molecular formula C10H9F3O. 1-[4-(TRIFLUOROMETHYL)PHENYL]BUT-1-EN-3-ONE is a butenone derivative with a trifluoromethylphenyl substituent. It is commonly used as a building block for the synthesis of various pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group makes this compound a valuable building block for the development of new drugs due to its ability to modify the physicochemical properties and pharmacokinetic behavior of the resulting molecules. Additionally, the butenone moiety allows for further structural modifications, making this compound a versatile intermediate in organic synthesis. Overall, 1-[4-(Trifluoromethyl)phenyl]but-1-en-3-one is a valuable compound with diverse synthetic applications in the pharmaceutical and agrochemical industries.

InChI:InChI=1/C11H9F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h2-7H,1H3/b3-2+

Upstream product

• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 67-64-1 acetone 
• 1360611-42-2 1-(4-(trifluoromethyl)phenyl)but-2-yn-1-ol 
• 113170-92-6 1-(but-3-en-1-yl)-4-(trifluoromethyl)benzene 
• 1439-36-7 1-triphenylphosphoranylidene-2-propanone 
• 123-42-2 4-Hydroxy-4-methyl-2-pentanone 
• 128796-39-4 4-trifluoromethylphenylboronic acid 
• 455-14-1 4-trifluoromethylphenylamine 
• 78-94-4 methyl vinyl ketone 

Downstream Products

• 53966-34-0 3-(4-trifluoromethylphenyl)-7-chloro-10-hydroxy-3,4-dihydroacridine-1,9(2H,10H)-dione 
• 55579-69-6 5-<4-(trifluoromethyl)phenyl>-1,3-cyclohexanedione 
• 80092-93-9 7-chloro-3,4-dihydro-3-<4-(trifluoromethyl)phenyl>-1,9(2H,10H)-acridinedione 
• 144128-77-8 cis/trans-4-methyl-5-<4-(trifluoromethyl)phenyl>-1,3-cyclohexanedione 
• 144128-75-6 cis/trans-4-ethyl-5-<4-(trifluoromethyl)phenyl>-1,3-cyclohexanedione 
• 144155-73-7 3-(1-pyrrolidinyl)-5-<4-(trifluoromethyl)phenyl>-2-cyclohexen-1-one 
• 144155-75-9 6-ethyl-3-(1-pyrrolidinyl)-5-<4-(trifluoromethyl)phenyl>-2-cyclohexen-1-one 
• 144155-77-1 4-methyl-3-(1-pyrrolidinyl)-5-<4-(trifluoromethyl)phenyl>-2-cyclohexen-1-one 
• 144155-74-8 4-ethyl-3-(1-pyrrolidinyl)-5-<4-(trifluoromethyl)phenyl>-2-cyclohexen-1-one 
• 144155-69-1 7-chloro-3,4-dihydro-3-<4-(trifluoromethyl)phenyl>-1(2H)-acridinone 
• 144155-03-3 3-(4-Trifluoromethyl-phenyl)-3,4-dihydro-2H,10H-acridine-1,9-dione 
• 144129-08-8 7-Ethyl-3-(4-trifluoromethyl-phenyl)-3,4-dihydro-2H,10H-acridine-1,9-dione 
• 144155-20-4 7-chloro-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,9(2H,10H)-acridinedione 
• 144155-88-4 7-chloro-3,4-dihydro-3-<4-(trifluoromethyl)phenyl>-1(2H)-acridinone 10-oxide 

Relevant articles and documents

Polysubstituted Indole Synthesis via Palladium/Norbornene Cooperative Catalysis of Oxime Esters

Polysubstituted indoles are prevalent in pharmaceuticals, agrochemicals, and organic materials. Presented herein is the fact that polyfunctionalized indoles can be efficiently constructed from easily accessible oxime esters and aryl iodides, involving a palladium/norbornene synergistic synthesis. The reaction is enabled by a unique class of electrophiles in palladium/norbornene cooperative catalysis, which are oxime esters derived from simple ketone. The broad substrate scope and high functional group tolerance could make this method attractive for the synthesis of polysubstituted indoles.

RhIII-Catalyzed Synthesis of Highly Substituted 2-Pyridones using Fluorinated Diazomalonate

A RhIII-catalyzed strategy was developed for the rapid construction of highly substituted 2-pyridone scaffolds using α,β-unsaturated oximes and fluorinated diazomalonate. The reaction proceeds through direct, site-selective alkylation based on migratory insertion and subsequent cyclocondensation. A wide substrate scope with different functional groups was explored. The requirement of fluorinated diazomalonate was explored for this transformation. The developed methodology was further extended with the synthesis of the bioactive compound.

Discovery of novel 5-methyl-1H-pyrazole derivatives as potential antiprostate cancer agents: Design, synthesis, molecular modeling, and biological evaluation

Androgen receptor (AR) signaling functions as a core driving force for the progression of prostate cancer (PCa), and AR has been proved to be an effective therapeutic target even for castration-resistant prostate cancer (CRPC). Herein, structural modification via a fragments splicing strategy was performed based on two lead compounds T3 and 10e, leading to the discovery of a series of 5-methyl-1H-pyrazole derivatives. AR reporter gene assay revealed compounds A13 and A14 as potent AR antagonists. Some of the compounds in this series inhibited growth of PCa LNCaP cells more efficiently than enzalutamide. A13 and A14 also showed improved metabolic stability compared with 10e in human liver microsomes.