76579-46-9

Basic information

• Product Name: 4-(2,2,2-trifluoroethoxy)benzaldehyde
• Synonyms: 4-(2,2,2-trifluoroethoxy)benzaldehyde
• CAS NO: 76579-46-9
• Molecular Formula: C₉H₇F₃O₂
• Molecular Weight: 204.1458896
• Mol File: 76579-46-9.mol
• Article Data: 14

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(2,2,2-trifluoroethoxy)benzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2,2,2-trifluoroethoxy)benzaldehyde(76579-46-9)
• EPA Substance Registry System: 4-(2,2,2-trifluoroethoxy)benzaldehyde(76579-46-9)

Safety Data

• Hazardous Substances Data: 76579-46-9(Hazardous Substances Data)

Upstream product

• 420-87-1 sodium 2,2,2-trifluoroethanolate 
• 555-16-8 4-nitrobenzaldehdye 
• 25236-64-0 2,2,2-trifluoroethyl methanesulfonate 
• 123-08-0 4-hydroxy-benzaldehyde 
• 433-06-7 2,2,2-Trifluoroethyl p-toluenesulfonate 
• 353-83-3 1,1,1-trifluoro-2-iodoethane 
• 75-89-8 2,2,2-trifluoroethanol 
• 1122-91-4 4-bromo-benzaldehyde 
• 104-88-1 4-chlorobenzaldehyde 
• 87199-17-5 4-formylphenylboronic acid, 

Downstream Products

• 128140-41-0 4'-Pentyl-4-{(E)-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-vinyl}-bicyclohexyl 
• 27914-56-3 4-(2,2,2-trifluoroethoxy)benzoic acid 
• 1026724-01-5 4,5-dimethyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazole 3-oxide 
• 1025984-75-1 4-chloromethyl-5-methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazole 
• 1027286-99-2 4-[3-((E)-3-Chloro-1-methyl-propenyl)-phenoxymethyl]-5-methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazole 
• 1026960-88-2 (E)-3-(3-{5-Methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazol-4-ylmethoxy}-phenyl)-but-2-en-1-ol 
• 1028282-42-9 (E)-3-(3-{5-Methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazol-4-ylmethoxy}-phenyl)-but-2-enoic acid ethyl ester 
• 1027238-74-9 N-[3-(3-{5-methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazol-4-ylmethoxy}-phenyl)-but-2-enyl]-hydroxylamine 
• 1025814-69-0 C₃₃H₃₉F₃N₂O₈ 
• 128140-40-9 4-(2,2,2-Trifluoro-ethoxy)-benzoic acid 4-ethoxy-phenyl ester 
• 128140-42-1 4'-Pentyl-4-{2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-ethyl}-bicyclohexyl 
• 126300-83-2 4-trifluoroethoxybenzyl bromide 
• 1353657-23-4 2-amino-6-sulfanyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3,5-dicarbonitrile 
• 1353656-75-3 rac-4-[1-({6-amino-3,5-dicyano-4-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}sulfanyl)ethyl]-N-methylpyridine-2-carboxamide 

Relevant articles and documents

Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Fluorinated Candidates as PI3K Inhibitors: Targeting Fluorophilic Binding Sites

Highly fluorinated candidates containing anticancer pharmacophores like thiosemicarbazone (5a-e) and its cyclic analogues hydrazineylidenethiazolidine (6a-e), 2-aminothiadiazole (7a-e), and 2-hydrazineylidenethiazolidin-4-one (8a-e) were synthesized, and their cytotoxic activity was assayed against 60 tumor cell lines. Compounds 6c, 7b, and 8b displayed the most potent activity with lower toxic effects on MCF-10a. In vitro phosphatidylinositol 3-kinase (PI3K) enzyme inhibition was performed. Compound 6c displayed half-maximal inhibitory concentration (IC50, μM) values of 5.8, 2.3, and 7.9; compound 7b displayed IC50 values of 19.4, 30.7, and 73.7; and compound 8b displayed IC50 values of 77.5, 53.5, and 121.3 for PI3Kα, β, and δ, respectively. Moreover, cell cycle progression caused cell cycle arrest at the S phase for compounds 6c and 8b and at G1/S for compound 7b, while apoptosis was induced. In silico studies; molecular docking; physicochemical parameters; and absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis were performed. The results showed that compound 6c is the most potent one with a selectivity index (SI) of 39 and is considered as a latent lead for further optimization of anticancer agents.

Copper-catalyzed oxidative trifluoroethoxylation of aryl boronic acids with CF3CH2OH

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