63450-46-4

Basic information

• Product Name: ethyl [2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]carbamate
• Synonyms: ethyl [2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]carbamate;[2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]carbamic acid ethyl ester
• CAS NO: 63450-46-4
• Molecular Formula: C₁₃H₁₀F₃NO₄
• Molecular Weight: 301.2180096
• EINECS: 264-175-7
• Mol File: 63450-46-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 317.8°Cat760mmHg
• Flash Point: 146°C
• Appearance: /
• Density: 1.475g/cm³
• Vapor Pressure: 0.000377mmHg at 25°C
• Refractive Index: 1.551
• CAS DataBase Reference: ethyl [2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl [2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]carbamate(63450-46-4)
• EPA Substance Registry System: ethyl [2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]carbamate(63450-46-4)

Safety Data

• Hazardous Substances Data: 63450-46-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H10F3NO4/c1-2-20-12(19)17-7-3-4-8-9(13(14,15)16)6-11(18)21-10(8)5-7/h3-6H,2H2,1H3,(H,17,19)

Upstream product

• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 7159-96-8 ethyl N-(3-hydroxyphenyl)carbamate 
• 591-27-5 m-Hydroxyaniline 

Downstream Products

• 53518-15-3 Coumarin 151 

Relevant articles and documents

Design, synthesis, cytotoxicity and mechanism of novel dihydroartemisinin-coumarin hybrids as potential anti-cancer agents

To develop novel agents with anticancer activities, thirty-four new dihydroartemisinin-coumarin hybrids were designed and synthesized in this study. Those compounds were identified that had great anticancer activity against two cancer cell lines (MDA-MB-231 and HT-29). The structure-activity relationships of the derivatives were also discussed, and the results of docking analysis had shown that carbonic anhydrases IX (CA IX) was very likely to be one of the drug targets of the hybrids. Meanwhile, to clarify the mechanism of the anticancer activity of the hybrids molecule, we did further exploration in the bioactivity of the hybrids. The results had shown that these derivatives obviously inhibited proliferation of HT-29 cell lines, arrested G0/G1 phase of HT-29 cells, suppressed the migration of tumor cells, and induced a great decrease in mitochondrial membrane potential leading to apoptosis of cancer cells. Interestingly, the hybrids also induced the other cell death pathway-ferroptosis.

Synthesis and Chemistry of 7-Amino-4-(trifluoromethyl)coumarin and Its Amino Acid and Peptide Derivatives

The synthesis and purification of 7-amino-4-(trifluoromethyl)coumarin, a novel fluorescent marker for the sensitive detection of proteinases, were investigated.Two byproducts, 7-hydroxy-4-(trifluoromethyl-2-quinolone and 2-ethoxy-7-hydroxy-4-(trifluoromethyl)quinoline, were isolated and identified. 7-Methoxy-4-(trifluoromethyl)-2-quinolone was also prepared.Amino acid and peptide derivatives prepared by solution methods using the stepwise approach included 7-(L-leucinamido)-, 7-(D-alanyl-L-leucyl-L-lysinamido)-, 7-(D-valyl-L-leucyl-L-lysinamido)-, and 7-(Nα-Z-glycylglycyl-L-argininamido)-4-(trifluoromethyl)coumarins