221121-36-4

Basic information

• Product Name: 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
• Synonyms: 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER;CHEMBRDG-BB 4002002;ethyl 4-(3-fluorophenyl)-3-oxobutanoate(SALTDATA: FREE);4-(3-Fluorophenyl)-3-oxobutanoic acid ethyl ester;ethyl 4-(3-fluorophenyl)-3-oxobutanoate
• CAS NO: 221121-36-4
• Molecular Formula: C₁₂H₁₃FO₃
• Molecular Weight: 224.23
• Product Categories: pharmacetical
• Mol File: 221121-36-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 289.365°C at 760 mmHg
• Flash Point: 124.791°C
• Appearance: /
• Density: 1.161g/cm³
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.493
• CAS DataBase Reference: 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(221121-36-4)
• EPA Substance Registry System: 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(221121-36-4)

Safety Data

• Hazardous Substances Data: 221121-36-4(Hazardous Substances Data)

Usage

General Description

4-(3-fluoro-phenyl)-3-oxo-butyric acid ethyl ester is a chemical compound with a molecular formula C12H13FO3. It is a ester derivative of 4-(3-fluoro-phenyl)-3-oxo-butyric acid, which is a precursor in the biosynthesis of the neurotransmitter gamma-aminobutyric acid (GABA). 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER is commonly used in research and development applications as a building block in the synthesis of various pharmaceutical compounds and agrochemicals. It is a white to off-white colored solid with a melting point of 49-51°C. The compound is mainly used in organic synthesis to produce new chemical compounds for various applications in the pharmaceutical and agricultural industries.

InChI:InChI=1/C12H13FO3/c1-2-16-12(15)8-11(14)7-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3

Upstream product

• 2033-24-1 cycl-isopropylidene malonate 
• 64-17-5 ethanol 
• 458-04-8 3-fluorophenylacetyl chloride 
• 331-25-9 (3-fluorophenyl)acetic acid 
• 6148-64-7 ethyl potassium malonate 
• 221121-29-5 2-(3-Fluoro-phenyl)-1-imidazol-1-yl-ethanone 

Downstream Products

• 1159576-78-9 ethyl (2Z)-3-amino-4-(3-fluorophenyl)but-2-enoate 
• 221121-53-5 6-(3-fluoro-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one 

Relevant articles and documents

Discovery of pyrrolo[2,3-d]pyrimidine derivatives as potent Axl inhibitors: Design, synthesis and biological evaluation

Axl has emerged as an attractive target for cancer therapy due to its strong correlation with tumor growth, metastasis, poor survival, and drug resistance. Herein, we report the design, synthesis and structure-activity relationship (SAR) investigation of a series of pyrrolo[2,3-d]pyrimidine derivatives as new Axl inhibitors. Among them, the most promising compound 13b showed high enzymatic and cellular Axl potencies. Furthermore, 13b possessed preferable pharmacokinetic properties and displayed promising therapeutic effect in BaF3/TEL-Axl xenograft tumor model. Compound 13b may serve as a lead compound for new antitumor drug discovery.

MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS

Provided are compounds represented by Formula IA: (IA), and the pharmaceutically acceptable salts and solvates thereof, wherein R, R 1a, R 1b, L 1, L 2, L 3, X, A, B and C are as defined as set forth

5-alkyl-2-(alkylthio)-6-(2,6-dihalophenylmethyl)-3,4-dihydropyrimidin- 4(3H)-ones: Novel potent and selective dihydro-alkoxy-benzyl-oxopyrimidine derivatives

Molecular modeling analysis of compounds belonging to the recently published series of dihydro-alkoxy-benzyl-oxopyrimidines (DABOs), such as S- DABOs and DATNOs, gave support to the design of new 2,6-disubstituted benzyl- DABO derivatives as highly potent