131061-12-6

Basic information

• Product Name: (E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER
• Synonyms: (E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER
• CAS NO: 131061-12-6
• Molecular Formula: C₁₃H₁₅FO₂
• Molecular Weight: 222.2554032
• Mol File: 131061-12-6.mol
• Article Data: 33

Chemical Properties

• Melting Point: 209-210 °C
• Boiling Point: 302.555°C at 760 mmHg
• Flash Point: 132.437°C
• Appearance: /
• Density: 1.089g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.524
• CAS DataBase Reference: (E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER(131061-12-6)
• EPA Substance Registry System: (E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER(131061-12-6)

Safety Data

• Hazardous Substances Data: 131061-12-6(Hazardous Substances Data)

Usage

Description

(E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER, also known as a butyl ester of (E)-3-(4-fluoro-phenyl)-acrylic acid, is a chemical compound with the molecular formula C13H14F2O2. It has a pale yellow appearance and is commonly utilized in the synthesis of pharmaceuticals and other organic compounds. Due to its potential to cause irritation to the skin, eyes, and respiratory system, it is crucial to handle this compound with caution and minimize exposure.

Uses

Used in Pharmaceutical Synthesis:
(E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER is used as a key intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique chemical structure allows it to serve as a building block in the development of new medications, contributing to the advancement of pharmaceutical research and drug discovery.
Used in Agrochemical Production:
In the agrochemical industry, (E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER is used as a reagent in the production of different agrochemicals. Its application in this field aids in the development of more effective and targeted pest control solutions, ultimately benefiting agricultural productivity and crop protection.
Used in Organic Synthesis:
(E)-3-(4-FLUORO-PHENYL)-ACRYLIC ACID BUTYL ESTER is also employed as a reagent in organic synthesis across various industries. Its versatility in chemical reactions enables the creation of a wide range of organic compounds, further expanding its utility in research and development.

InChI:InChI=1/C13H15FO2/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h4-9H,2-3,10H2,1H3/b9-6+

Upstream product

• 141-32-2 acrylic acid n-butyl ester 
• 349-88-2 4-Fluorobenzenesulfonyl chloride 
• 460-00-4 1-Bromo-4-fluorobenzene 
• 352-34-1 4-fluoro-1-iodobenzene 
• 1765-93-1 4-fluoroboronic acid 
• 462-06-6 fluorobenzene 
• 403-43-0 4-fluorobenzoyl chloride 

Relevant articles and documents

Heck reactions between aryl halides and olefins catalysed by Pd-complexes entrapped into zeolites NaY

Palladium complexes entrapped into zeolite cages have been prepared and characterised by MAS-NMR. They exhibit a high activity towards the Heck reaction of aryl bromides with olefins for small palladium concentrations (0.1 mol%). The catalysts can be easily separated from the reaction mixture and reused after washing without loss in activity. Except for very large complexes, no limitation to the diffusion of educts in the zeolite cages was observed. As for the homogeneous Heck reaction, the electronic nature of the aryl bromides and the olefins has a dominating effect on the reaction yield and selectivity. The heterogeneous catalysts activate even aryl chlorides under standard reaction conditions.

Gelatin-pyrolyzed mesoporous N-doped carbon supported Pd as high-performance catalysts for aqueous Heck reactions

Nitrogen-doped mesoporous carbon-supported Pd (Pd@N-C) catalysts were prepared by pyrolyzing gelatin/templates/PdCl2 hydrogels under N2 atmosphere at 800°C. Using poly (ethylene glycol) block poly (propylene glycol) block poly (ethyl

A Palladium NNC-Pincer Complex as an Efficient Catalyst Precursor for the Mizoroki?Heck Reaction

The Mizoroki?Heck reaction of aryl halides (iodides, bromides, or chlorides) with activated alkenes in the presence of a palladium NNC-pincer complex at ppb to ppm loadings gave the corresponding internal alkenes in excellent yields. The total turnover number and turnover frequency reached up to 8.70×108 and 1.21×107 h?1 (3.36×103 s?1), respectively. The catalyst was applied in a ten-gram-scale synthesis of the UV-B sunscreen agent octinoxate (2-ethylhexyl 4-methoxycinnamate). Reaction-rate analyses, transmission electron microscopic examination of the reaction mixture, and poisoning tests suggested that a monomeric palladium species is the catalytically active species in the catalytic cycle. (Figure presented.).