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1999-00-4

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1999-00-4 Usage

Description

Ethyl 3-(4-fluorophenyl)-3-oxopropanoate, also known as Ethyl (4-fluorobenzoyl)acetate, is a colorless liquid that serves as a versatile reactant in various chemical reactions. It is commonly used as a precursor in the synthesis of different organic compounds, making it a valuable component in the field of organic chemistry.

Uses

Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is used as a reactant in the following applications:
1. Condensation reactions with diamines via C-C bond cleavage for the synthesis of benzimidazoles and perimidines, which have potential use as antimalarial treatments.
2. Base-promoted domino Michael addition/cyclization/elimination reactions for the synthesis of hydroxybenzophenones, which are important intermediates in the pharmaceutical industry.
3. Oxidative cross-coupling with indoles via dioxygen activation, which can lead to the formation of various biologically active compounds.
4. Cyclization of keto esters for the synthesis of pyrones, which are valuable building blocks in organic synthesis and have potential applications in the pharmaceutical and agrochemical industries.
5. Lewis base catalyzed hydrosilylation for the synthesis of α-acetoxy β-amino acid derivatives, which are important intermediates in the synthesis of various pharmaceuticals and natural products.
6. Conia-ene reactions for the synthesis of methylenecyclopentane derivatives, which are useful in the preparation of complex organic molecules and have potential applications in the development of new drugs and materials.
Used in Pharmaceutical Industry:
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is used as a key intermediate for the synthesis of various pharmaceutical compounds, contributing to the development of new drugs and treatments.
Used in Agrochemical Industry:
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is used as a building block in the synthesis of agrochemicals, such as pesticides and herbicides, to improve crop protection and yield.
Used in Material Science:
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is used in the development of new materials, such as polymers and coatings, due to its versatile reactivity and potential to form novel structures with unique properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1999-00-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,9,9 and 9 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1999-00:
(6*1)+(5*9)+(4*9)+(3*9)+(2*0)+(1*0)=114
114 % 10 = 4
So 1999-00-4 is a valid CAS Registry Number.
InChI:InChI=1/C15H14FNO2/c16-13-8-6-12(7-9-13)14(15(18)19)17-10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)

1999-00-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Detail
  • TCI America

  • (F0435)  Ethyl (4-Fluorobenzoyl)acetate  >98.0%(GC)(T)

  • 1999-00-4

  • 1g

  • 490.00CNY

  • Detail
  • TCI America

  • (F0435)  Ethyl (4-Fluorobenzoyl)acetate  >98.0%(GC)(T)

  • 1999-00-4

  • 5g

  • 1,390.00CNY

  • Detail
  • TCI America

  • (F0435)  Ethyl (4-Fluorobenzoyl)acetate  >98.0%(GC)(T)

  • 1999-00-4

  • 25g

  • 4,590.00CNY

  • Detail
  • Alfa Aesar

  • (H61813)  Ethyl (4-fluorobenzoyl)acetate, 95%   

  • 1999-00-4

  • 250mg

  • 195.0CNY

  • Detail
  • Alfa Aesar

  • (H61813)  Ethyl (4-fluorobenzoyl)acetate, 95%   

  • 1999-00-4

  • 1g

  • 586.0CNY

  • Detail
  • Alfa Aesar

  • (H61813)  Ethyl (4-fluorobenzoyl)acetate, 95%   

  • 1999-00-4

  • 5g

  • 2339.0CNY

  • Detail

1999-00-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names ethyl 3-(4-fluorophenyl)-3-oxopropionate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1999-00-4 SDS

1999-00-4Relevant articles and documents

Relative Study of Luminescent Properties with Judd-Ofelt Characterization in Trivalent Europium Complexes Comprising ethyl-(4-fluorobenzoyl) Acetate

Devi, Rekha,Chahar, Sangeeta,Khatkar,Taxak,Boora, Priti

, p. 1349 - 1358 (2017)

Five new europium(III) complexes Eu(p-EFBA)3.(H2O)2 (C1), Eu(p-EFBA)3.neo (C2), Eu(p-EFBA)3.batho (C3), Eu(p-EFBA)3.phen (C4), Eu(p-EFBA)3.bipy (C5) have been synthesized by using ethyl-(4-fluorobenzoyl) acetate (p-EFBA) as β-ketoester ligand and neocuproine (neo), bathophenanthroline (batho), 1,10-phenanthroline (phen) and 2,2-bipyridyl (bipy) as ancillary ligands. The synthesized complexes C1-C5 were characterized by elemental analysis, nuclear magnetic resonance spectroscopy (1H-NMR), infrared (IR) spectroscopy, thermogravimetric analysis (TG/DTG), UV-visible and photoluminescence (PL) spectroscopy. The relative study of luminescence spectra of complexes with the previously reported complexes of isomeric ligand (ortho and meta substituted ligand) indicate the higher luminescence properties of complexes as an effect of fluorine position on β-ketoester ligand. The para substituted ligand shows a remarkable effect on quantum efficiencies and Judd-Ofelt intensity parameters (Ω2, Ω4) of the complexes. The higher value of intensity parameter Ω2 associated with hypersensitive 5D0?→?7F2 transition of europium(III) ion revealing highly polarizable ligand field. The purposed energy transfer mechanism of complexes indicates the efficient energy transfer in complexes.

Electrochemical Oxidative Cyclization: Synthesis of Polysubstituted Pyrrole from Enamines

Chen, Zhiwei,Shi, Guang,Tang, Wei,Sun, Jie,Wang, Wenxing

supporting information, p. 951 - 955 (2021/02/03)

A conceptually novel method for the preparation of pyrrole is described by electrochemical-oxidation-induced intermolecular annulation via enamines. In a simple undivided cell, based on a sodium acetate-facilitated, polysubstituted pyrrole derivations has been facilely synthesized under external oxidant-free condition. This electrosynthetic approach providing an environmentally benign protocol for C?C bond cross-coupling and oxidative annulation, which features unparalleled broad scope of substrates and practicality.

Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights

Wu, Qiuyue,Dong, Ziyang,Xu, Jiaxi,Yang, Zhanhui

supporting information, p. 3173 - 3180 (2021/04/21)

A rhodium-catalyzed denitrogenative formal (3 + 3) transannulation of 1,2,3-thiadiazoles with alk-2-enals is achieved, producing 2,3-dihydrothiopyran-4-ones in moderate to excellent yields. An inverse KIE of 0.49 is obtained, suggesting the reversibility of the oxidative addition of thioacyl Rh(i) carbenes to alk-2-enals. The late-stage structural modifications of steroid compounds are realized. Moreover, our studies show that thioacyl carbenes have different reactivities to those of α-oxo and α-imino carbenes, and highlight the importance of heteroatoms in deciding the reactivities of heterovinyl carbenes.

Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of Racemic β’-Keto-β-Amino Esters via Dynamic Kinetic Resolution

He, Jiayin,Huang, An,Ling, Fei,Wang, Shiliang,Wang, Yifan,Wang, Ze,Zhao, Xianghua,Zhong, Weihui

supporting information, p. 4714 - 4719 (2021/09/02)

An iridium/f-diaphos catalytic system for the enantioselective hydrogenation of α-substituted β-ketoesters via dynamic kinetic resolution is reported. The desired anti β’-hydroxy-β-amino esters were obtained in moderate to good yields (60–95%) with 72–99% ees and 91:9 to 99:1 drs. This protocol tolerates various functional groups and could be easily conducted on gram scale with lower catalyst loading (TON up to 9100). (Figure presented.).

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