110931-77-6

Basic information

• Product Name: 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID
• Synonyms: 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID;3-(2,4-DIFLUOROBENZOYL)PROPIONIC ACID;4-(2,4-DIFLUOROPHENYL)-4-OXOBUTYRIC ACID;4-(2,4-Difluorophenyl)-4-oxobutanoic acid;3-(2,4-Difluorobenzoyl)propanoic acid;4-(2,4-Difluorophenyl)-4-oxobutanoic acid 97%;2,4-Difluoro-γ-oxo-benzenebutanoic Acid;4-(2,4-Difluorophenyl)
• CAS NO: 110931-77-6
• Molecular Formula: C₁₀H₈F₂O₃
• Molecular Weight: 214.17
• Product Categories: Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 110931-77-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 115.0 to 119.0 °C
• Boiling Point: 366.7 °C at 760 mmHg
• Flash Point: 175.6 °C
• Appearance: /
• Density: 1.363
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.33±0.17(Predicted)
• CAS DataBase Reference: 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID(110931-77-6)
• EPA Substance Registry System: 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID(110931-77-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 110931-77-6(Hazardous Substances Data)

Usage

Description

3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID is an organic compound that serves as a crucial reagent in the synthesis of various antimycotic agents. It is characterized by its unique chemical structure, which features a benzoyl group with two fluorine atoms at the 2' and 4' positions, attached to a propionic acid backbone. This structure endows the compound with specific properties that make it valuable in the pharmaceutical industry.

Uses

Used in Pharmaceutical Industry:
3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID is used as a key reagent for the synthesis of various antimycotic agents. Its application in this field is due to its ability to contribute to the development of effective antifungal medications that can combat a wide range of fungal infections.
As a reagent in the synthesis of antimycotics, 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID plays a vital role in the pharmaceutical industry. The compound's unique structure allows it to be incorporated into the molecular design of potent antifungal drugs, which can be used to treat a variety of fungal infections. These infections can range from superficial conditions, such as athlete's foot and ringworm, to more serious, systemic infections that can affect the internal organs.
The use of 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID in the development of antimycotic agents is driven by the need for new and effective treatments to combat the growing threat of drug-resistant fungal strains. As the prevalence of resistant strains increases, there is a pressing need for the development of novel antifungal drugs that can overcome these resistance mechanisms and provide effective treatment options for patients.
In addition to its role in the synthesis of antimycotics, 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID may also have potential applications in other areas of the pharmaceutical industry. For example, its unique chemical structure could be harnessed for the development of new drugs targeting other types of infections or diseases. However, further research and development would be required to explore these potential applications fully.

Upstream product

• 108-30-5 succinic acid anhydride 
• 372-18-9 1,3-Difluorobenzene 

Downstream Products

• 165115-70-8 4-(2,4-difluorophenyl)-pent-4-enoic acid 
• 170985-86-1 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-1H-1,2,4-triazol-5(4H)-one 
• 171228-49-2 posaconazote 
• 149809-43-8 (2R-cis)-2-(2,4-difluorophenyl)-4-[[(4-methylphenyl)sulfonyloxy]methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran 
• 182210-71-5 ((3R,5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl)methanol 
• 160709-02-4 ((3R,5R)-5-((1H-1,2,4-triazole-1-yl) methyl)-5-(2,4-difluorophenyl) tetrahydrofuran-3-yl)methanol 

Relevant articles and documents

Development of posaconazole-based analogues as hedgehog signaling pathway inhibitors

Inhibition of the hedgehog (Hh) signaling pathway has been validated as a therapeutic strategy to treat basal cell carcinoma and holds potential for several other forms of human cancer. Itraconazole and posaconazole are clinically useful triazole anti-fungals that are being repurposed as anti-cancer agents based on their ability to inhibit the Hh pathway. We have previously demonstrated that removal of the triazole from itraconazole does not affect its ability to inhibit the Hh pathway while abolishing its primary side effect, potent inhibition of Cyp3A4. To develop structure-activity relationships for the related posaconazole scaffold, we synthesized and evaluated a series of des-triazole analogues designed through both ligand- and structure-based methods. These compounds demonstrated improved anti-Hh properties compared to posaconazole and enhanced stability without inhibiting Cyp3A4. In addition, we utilized a series of molecular dynamics and binding energy studies to probe specific interactions between the compounds and their proposed binding site on Smoothened. These studies strongly suggest that the tetrahydrofuran region of the scaffold projects out of the binding site and that π-π interactions between the compound and Smoothened play a key role in stabilizing the bound analogues.

NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

The invention provides novel compounds having the general formula wherein R1, R2, R3, X and a are as described in the description and in the claims, as well as or pharmaceutically acceptable salts thereof. The invention also contains compositions including the compounds and methods of using the compounds.

Racemic and chiral lactams as potent, selective and functionally active CCR4 antagonists

A series of racemic and chiral, nonracemic lactams that display high binding affinities, functional chemotaxis antagonism, and selectivity toward CCR4 are described. Compound 41, which provides reasonably high blood levels in mice when dosed intraperitoneally, was identified as a useful pharmacological tool to explore the role of CCR4 antagonism in animal models of allergic disease. A series of racemic and chiral, nonracemic lactams that display high binding affinities, functional chemotaxis antagonism, and selectivity toward CCR4 are described. Compound 41, which provides reasonably high blood levels in mice when dosed intraperitoneally, was identified as a useful pharmacological tool to explore the role of CCR4 antagonism in animal models of allergic disease.