349-22-4

Basic information

• Product Name: 4-(4-FLUORO-3-METHYLPHENYL)-4-OXOBUTYRIC ACID
• Synonyms: TIMTEC-BB SBB011241;4-(4-FLUORO-3-METHYLPHENYL)-4-OXOBUTYRIC ACID;OTAVA-BB 1043521;4-(4-fluoro-3-Methylphenyl)-4-oxobutanoic acid
• CAS NO: 349-22-4
• Molecular Formula: C₁₁H₁₁FO₃
• Molecular Weight: 210.2
• Mol File: 349-22-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 119 °C
• Boiling Point: 391.3°C at 760 mmHg
• Flash Point: 190.4°C
• Appearance: /
• Density: 1.243g/cm³
• Vapor Pressure: 7.98E-07mmHg at 25°C
• Refractive Index: 1.526
• PKA: 4.50±0.17(Predicted)
• CAS DataBase Reference: 4-(4-FLUORO-3-METHYLPHENYL)-4-OXOBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-FLUORO-3-METHYLPHENYL)-4-OXOBUTYRIC ACID(349-22-4)
• EPA Substance Registry System: 4-(4-FLUORO-3-METHYLPHENYL)-4-OXOBUTYRIC ACID(349-22-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 349-22-4(Hazardous Substances Data)

Usage

General Description

4-(4-Fluoro-3-methylphenyl)-4-oxobutyric acid is a chemical compound with the molecular formula C11H11FO3. It is a derivative of butyric acid, and it contains a fluorine atom attached to the 4th carbon of a phenyl group. 4-(4-FLUORO-3-METHYLPHENYL)-4-OXOBUTYRIC ACID is used as a building block in organic synthesis and pharmaceutical research. Its properties are not well-documented, but it is likely to be a white or off-white solid at room temperature. It may be used in the development of pharmaceutical drugs or as a precursor for other organic compounds.

InChI:InChI=1/C11H11FO3/c1-7-6-8(2-3-9(7)12)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)

Upstream product

• 135427-08-6 4-fluoro-3-methylbenzaldehyde 
• 51437-00-4 5-bromo-2-fluorotoluene 
• 108-30-5 succinic acid anhydride 
• 1100154-96-8 3-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)propan-1-ol 
• 95-52-3 2-Fluorotoluene 
• 107-06-2 1,2-dichloro-ethane 

Downstream Products

• 1100154-68-4 methyl 4-(4-fluoro-3-methylphenyl)-4-oxobutanoate 
• 39560-31-1 methyl 3-(4-fluorobenzoyl)-propionate 
• 331-43-1 4-(4-fluoro-3-methyl-phenyl)-butyric acid 

Relevant articles and documents

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Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning

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The present invention pertains to a process for the preparation of Compound (4) through the below-described reaction route: STR1 wherein R1 and R2 each represents H, halogen, OH or C1-6 alkyl group; X and Y each represents a protected amino group and n stands for 0 to 4. According to the above process, an aminotetralone derivative which is an intermediate useful for an industrial preparation of a camptothecin derivative can be obtained in a convenient manner and in a high yield.