194804-99-4

Basic information

• Product Name: 3-(4-BROMO-2-FLUORO-3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
• Synonyms: ETHYL 3-(4-BROMO-2-FLUORO-3-METHOXYPHENYL)-3-OXOPROPANOATE;3-(4-BROMO-2-FLUORO-3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
• CAS NO: 194804-99-4
• Molecular Formula: C₁₂H₁₂BrFO₄
• Molecular Weight: 319.12
• Mol File: 194804-99-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 52-53 °C
• Boiling Point: 363.9±42.0 °C(Predicted)
• Appearance: /
• Density: 1.461±0.06 g/cm3(Predicted)
• PKA: 10.17±0.50(Predicted)
• CAS DataBase Reference: 3-(4-BROMO-2-FLUORO-3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-BROMO-2-FLUORO-3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(194804-99-4)
• EPA Substance Registry System: 3-(4-BROMO-2-FLUORO-3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(194804-99-4)

Safety Data

• Hazardous Substances Data: 194804-99-4(Hazardous Substances Data)

Usage

General Description

3-(4-Bromo-2-fluoro-3-methoxy-phenyl)-3-oxo-propionic acid ethyl ester is a chemical compound with a molecular formula C12H11BrFO4. It is a derivative of 3-oxo-propionic acid and contains a phenyl ring with bromine, fluorine, and methoxy groups attached. 3-(4-BROMO-2-FLUORO-3-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER is commonly used in pharmaceutical research and as a building block in the synthesis of various organic compounds. It has potential applications in the development of new drugs due to its structural properties and functional groups. Additionally, it may have uses in the field of agrochemicals and other industries where specialized organic molecules are required.

Upstream product

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Relevant articles and documents

Isothiazoloquinolones with enhanced antistaphylococcal activities against multidrug-resistant strains: Effects of structural modifications at the 6-, 7-, and 8-positions

We describe the biological evaluation of isothiazoloquinolones (ITQs) having structural modifications at the 6-, 7-, and 8-positions. Addition of a methoxy substituent to C-8 effected an increase in antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) and a decrease in cytotoxic activity against Hep2 cells. Removal of fluorine from C-6 or replacement of the C-8 carbon with a nitrogen compromised anti-MRSA activity. When the groups attached at C-7 were compared, the anti-MRSA activity decreased in the order 6-isoquinolinyl > 4-pyridinyl > 5-dihydroisoindolyl > 6-tetrahydroisoquinolinyl. The compound with the most desirable in vitro biological profile was 9-cyclopropyl-6-fluoro-8-methoxy-7-(2-methylpyridin-4-yl) -9H-isothiazolo[5,4-b]quinoline-3,4-dione (7g). This ITQ demonstrated (i) strong in vitro anti-MRSA activity (MIC90 = 0.5 μg/mL), (ii) strong inhibitory activities against S. aureus DNA gyrase and topoisomerase IV, with weak activity against human topoisomerase II, (iii) weak cytotoxic activities against three cell lines, and (iv) efficacy in an in vivo murine thigh model of infection employing MRSA.