587-18-8

Basic information

• Product Name: Ethyl-4-(trifluoroMethoxy) benzoate
• Synonyms: Ethyl-4-(trifluoroMethoxy) benzoate;4-Trifluoromethoxybenzoic acid ethyl ester
• CAS NO: 587-18-8
• Molecular Formula: C₁₀H₉F₃O₃
• Molecular Weight: 234.1718696
• Mol File: 587-18-8.mol
• Article Data: 8

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Ethyl-4-(trifluoroMethoxy) benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl-4-(trifluoroMethoxy) benzoate(587-18-8)
• EPA Substance Registry System: Ethyl-4-(trifluoroMethoxy) benzoate(587-18-8)

Safety Data

• Hazardous Substances Data: 587-18-8(Hazardous Substances Data)

Upstream product

• 175277-18-6 4-trifluoromethoxybenzoyl hydrazine 
• 17118-74-0 ethyl oxalylchloride 
• 780-31-4 methyl 4-(trifluoromethoxy)benzoate 
• 24210-45-5 α,α-difluorophenoxyacetic acid 
• 120-47-8 Ethyl 4-hydroxybenzoate 
• 294210-67-6 ethyl 4-(tributylstannyl)benzoate 
• 96898-10-1 tris(dimethylamino)sulfonium trifluoromethoxide 
• 407-14-7 1-bromo-4-(trifluoromethoxy)benzene 
• 1906-57-6 potassium monoethyl oxalate 
• 2070902-77-9 trifluoromethyl 4-fluorobenzene-1-sulfonate 
• 94-09-7 p-aminoethylbenzoate 
• 64-17-5 ethanol 
• 330-12-1 4-trifluoromethoxybenzoic acid 

Downstream Products

• 122454-46-0 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanenitrile 
• 4315-07-5 4-(trifluoromethoxy)phenylacetic acid 
• 49561-96-8 (4-trifluoromethoxy-phenyl)-acetonitrile 
• 50824-05-0 4-trifluoromethoxybenzyl bromide 
• 861804-79-7 4-[4-pyridin-4-yl-5-(4-trifluoromethoxy-phenyl)-1H-pyrrol-2-yl]-piperidine-1-carboxylic acid benzyl ester 
• 861804-99-1 4-[4-oxo-3-pyridin-4-yl-4-(4-trifluoromethoxy-phenyl)-butyryl]-piperidine-1-carboxylic acid benzyl ester 
• 1736-74-9 4-trifluoromethoxybenzyl alcohol 
• 1040723-93-0 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile 

Relevant articles and documents

ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND

The present invention relates to an isoindoline compound as represented by general formula (I) and used as a CRBN regulator, and a preparation method, a pharmaceutical composition, and an application of the isoindoline compound. Specifically, a class of polysubstituted isoindoline compound provided in the present invention, as a class of CRL4CRBN E3 ubiquitin ligase regulator having a novel structure, has good anti-tumor activity and immunoregulatory activity, and can be used for preparing drugs for treating diseases associated with a CRL4CRBN E3 ubiquitin ligase.

Sequential Xanthalation and O-Trifluoromethylation of Phenols: A Procedure for the Synthesis of Aryl Trifluoromethyl Ethers

Molecules containing trifluoromethoxyaryl groups are of interest in pharmaceutical, agrochemical, and materials science research, due to their unique physical and electronic properties. Many of the known methods to synthesize aryl trifluoromethyl ethers require harsh reagents and highly controlled reaction conditions and rarely occur when heteroaromatic units are present. The two-step O-trifluoromethylation of phenols via aryl xanthates is one such method that suffers from these drawbacks. Herein, we report a method for the synthesis of aryl trifluoromethyl ethers from phenols by the facile conversion of the phenol to the corresponding aryl and heteroaryl xanthates with newly synthesized imidazolium methylthiocarbonothioyl salts and conversion of these xanthates to the trifluoromethyl ethers under mild reaction conditions.

Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic

Protein kinases continue to be hot targets in drug discovery research, as they are involved in many essential cellular processes and their deregulation can lead to a variety of diseases. A series of 32 enantiomerically pure inhibitors was synthesized and tested towards protein kinase A (PKA) and protein kinase B mimic PKAB3 (PKA triple mutant). The ligands bind to the hinge region, ribose pocket, and glycine-rich loop at the ATP site. Biological assays showed high potency against PKA, with Ki values in the low nanomolar range. The investigation demonstrates the significance of targeting the often neglected glycine-rich loop for gaining high binding potency. X-ray co-crystal structures revealed a multi-facetted network of ligand-loop interactions for the tightest binders, involving orthogonal dipolar contacts, sulfur and other dispersive contacts, amide-π stacking, and H-bonding to organofluorine, besides efficient water replacement. The network was analyzed in a computational approach.