76783-59-0

Basic information

• Product Name: ETHYL 3-(TRIFLUOROMETHYL)BENZOATE
• Synonyms: 3-(TRIFLUOROMETHYL)BENZOIC ACID ETHYL ESTER;ETHYL 3-(TRIFLUOROMETHYL)BENZOATE;RARECHEM AL BI 0072;Ethyl m-trifluoromethylbenzoate;Ethyl 3-(trifluoromethyl)benzoate 97%;Ethyl3-(trifluoromethyl)benzoate97%
• CAS NO: 76783-59-0
• Molecular Formula: C₁₀H₉F₃O₂
• Molecular Weight: 218.17
• EINECS: -0
• Product Categories: Aromatic Esters
• Mol File: 76783-59-0.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 100 °C
• Flash Point: 100-101°C/10mm
• Appearance: /
• Density: 1.230±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.0732mmHg at 25°C
• Refractive Index: 1.446
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1968226
• CAS DataBase Reference: ETHYL 3-(TRIFLUOROMETHYL)BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3-(TRIFLUOROMETHYL)BENZOATE(76783-59-0)
• EPA Substance Registry System: ETHYL 3-(TRIFLUOROMETHYL)BENZOATE(76783-59-0)

Safety Data

• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26-37
• HazardClass: FLAMMABLE
• Hazardous Substances Data: 76783-59-0(Hazardous Substances Data)

Usage

General Description

ETHYL 3-(TRIFLUOROMETHYL)BENZOATE is a chemical compound with the molecular formula C10H9F3O2. It is a colorless liquid with a sweet, fruity odor, commonly used as a flavoring agent in the food and beverage industry. This chemical is often used in the synthesis of pharmaceuticals and agrochemicals. It is also employed as an intermediate in the production of perfumes and fragrances. ETHYL 3-(TRIFLUOROMETHYL)BENZOATE is considered to be relatively stable under normal conditions, but it may react with strong oxidizing agents. It is important to handle and store this chemical with caution to prevent any potential hazards.

InChI:InChI=1/C10H9F3O2/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3

Upstream product

• 64-17-5 ethanol 
• 201230-82-2 carbon monoxide 
• 401-81-0 m-trifluoromethylphenyl iodide 
• 131086-40-3 3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 1906-57-6 potassium monoethyl oxalate 
• 58313-23-8 3-iodobenzoic acid methyl ester 
• 289706-46-3 4-[2,2,2-trifluoro-1-(trimethylsilyloxy)ethyl]morpholine 
• 4334-87-6 [3-(ethoxycarbonyl)phenyl]boronic acid 
• 77152-08-0 trifluoromethylcopper(I) 
• 887144-97-0 Togni's reagent 
• 1412414-43-7 C₉H₉BF₃O₂^(1-)*K⁽¹⁺⁾ 
• 591-50-4 iodobenzene 
• 120-33-2 ethyl 3-methylbenzoate 

Downstream Products

• 742-91-6 diphenyl(3-(trifluoromethyl)phenyl)methanol 
• 109086-17-1 2-<3-(trifluoromethyl)phenyl>pyrrolidine 
• 27328-86-5 3-trifluoromethylbenzoylacetonitrile 
• 93618-66-7 3-(3-trifluoromethylphenyl)-3-oxo-propionic acid methyl ester 
• 1717-42-6 ethyl (3-trifluoromethylbenzoyl)acetate 
• 188345-23-5 2-(2-Fluoropyridin-4-yl)-1-(3-trifluoromethylphenyl)-ethanone 
• 913706-47-5 2-fluoro-4-[2-methylsulfanyl-5-(3-trifluoromethylphenyl)-3H-imidazol-4-yl]pyridine 
• 189442-95-3 1-(2-fluoropyridin-4-yl)-2-<3-(trifluoromethyl)phenyl>ethane-1,2-dione 1-oxime 
• 635324-51-5 ethyl 3-methoxy-3-(3-trifluoromethylphenyl)-2-propenoate 
• 635324-58-2 ethyl 4-chloro-1-methyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate 
• 635324-88-8 6-methyl-4-(3-trifluoromethyl-phenyl)-1,6-dihydro-2H-1,2,5,6,7-pentaaza-as-indacen-3-one 
• 635325-70-1 4-hydroxy-1-methyl-6-(3-trifluoromethyl-phenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester 
• 635324-67-3 ethyl 4-chloro-6-[3-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate 
• 635325-79-0 4-hydroxy-1-phenyl-6-(3-trifluoromethyl-phenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester 

Relevant articles and documents

4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors

In Gram-negative bacteria, the major mechanism of resistance to β-lactam antibiotics is the production of one or several β-lactamases (BLs), including the highly worrying carbapenemases. Whereas inhibitors of these enzymes were recently marketed, they only target serine-carbapenemases (e.g. KPC-type), and no clinically useful inhibitor is available yet to neutralize the class of metallo-β-lactamases (MBLs). We are developing compounds based on the 1,2,4-triazole-3-thione scaffold, which binds to the di-zinc catalytic site of MBLs in an original fashion, and we previously reported its promising potential to yield broad-spectrum inhibitors. However, up to now only moderate antibiotic potentiation could be observed in microbiological assays and further exploration was needed to improve outer membrane penetration. Here, we synthesized and characterized a series of compounds possessing a diversely functionalized alkyl chain at the 4-position of the heterocycle. We found that the presence of a carboxylic group at the extremity of an alkyl chain yielded potent inhibitors of VIM-type enzymes with Ki values in the μM to sub-μM range, and that this alkyl chain had to be longer or equal to a propyl chain. This result confirmed the importance of a carboxylic function on the 4-substituent of 1,2,4-triazole-3-thione heterocycle. As observed in previous series, active compounds also preferentially contained phenyl, 2-hydroxy-5-methoxyphenyl, naphth-2-yl or m-biphenyl at position 5. However, none efficiently inhibited NDM-1 or IMP-1. Microbiological study on VIM-2-producing E. coli strains and on VIM-1/VIM-4-producing multidrug-resistant K. pneumoniae clinical isolates gave promising results, suggesting that the 1,2,4-triazole-3-thione scaffold worth continuing exploration to further improve penetration. Finally, docking experiments were performed to study the binding mode of alkanoic analogues in the active site of VIM-2.

Oxidative Esterification of Aldehydes and Alcohols Catalyzed by Camphor-Based Imidazolium Salts

Abstract: Sixteen new camphor-based imidazolium salts have been synthesized with renewable camphorsulfonic acid as the starting material. The chemical shifts of the characteristic proton of C2 on the imidazolium ring (N?C=N) were discussed thoroughly and all of these imidazolium salts exhibit good thermal stability. Furthermore, the excellent catalytic performance of the synthesized imidazolium salts were observed in the oxidative esterification between aromatic or aliphatic aldehydes containing electron-withdrawing or electron-donating groups on aromatic ring and primary or secondary alcohol by air as the sole oxidant. Graphic Abstract: [Figure not available: see fulltext.].

Camphoryl imidazole type ionic liquid and preparation method and application thereof

The invention discloses a camphoryl imidazole type ionic liquid and a preparation method and application thereof. According to the preparation method, a derivative camphorsulfonic acid of a natural renewable resource camphor is taken as a raw material to prepare 10-iodocamphor; then the 10-iodocamphor and aryl imidazole are subjected to a quaterisation reaction to prepare camphoryl imidazole iodide; then the camphoryl imidazole iodide and sodium hexafluorophosphate, sodium tetrafluoroborate, bis(trifluorosulfonimide)lithium and the like are subjected to ion exchange to prepare camphoryl imidazole hexafluorophosphate, camphoryl imidazole tetrafluoroborate, camphoryl imidazole bis(trifluorosulfonimide)salt and other ionic liquids. The camphoryl imidazole type ionic liquid shows good catalytic activity for an oxidation esterification reaction of aldehyde-alcohol, has the advantages of short reaction time, good reaction selectivity and high product yield, and has a good application prospect.