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Niflumic acid

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Identification
Molecular formula
C13H10FNO2
CAS number
4394-00-7
IUPAC name
3-fluoro-4-[[2-hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)acetyl]amino]benzoic acid
State
State

At room temperature, Niflumic acid is in a solid state.

Melting point (Celsius)
204.00
Melting point (Kelvin)
477.15
Boiling point (Celsius)
589.30
Boiling point (Kelvin)
862.45
General information
Molecular weight
282.28g/mol
Molar mass
282.2780g/mol
Density
1.4189g/cm3
Appearence

Niflumic acid typically appears as a white crystalline solid.

Comment on solubility

Solubility of 3-fluoro-4-[[2-hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)acetyl]amino]benzoic acid

The solubility of 3-fluoro-4-[[2-hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)acetyl]amino]benzoic acid (C13H10FNO2) is influenced by several factors:

  • Polarity: The presence of hydroxyl (–OH) and carboxylic acid (–COOH) functional groups generally promotes hydrogen bonding, enhancing solubility in polar solvents like water.
  • Hydrophobic Character: The bulky tetramethyltetralin portion introduces hydrophobic characteristics, likely decreasing solubility in purely polar solvents.
  • pH Sensitivity: As an acid, the solubility may increase in alkaline conditions due to deprotonation, which allows for improved interaction with polar solvents.

In summary, while the compound could exhibit solubility in a range of solvents, its overall solubility profile is expected to be influenced by the balance between its polar functional groups and hydrophobic components. Experimental solubility tests would provide the most reliable data regarding its behavior in various solvents.

Interesting facts

Interesting Facts about 3-Fluoro-4-[[2-Hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)acetyl]amino]benzoic Acid

This compound is a fascinating example of a complex organic molecule that showcases the beauty and intricacy found in chemical structures. As a derivative of benzoic acid, it has numerous functional groups that contribute to its potential applications and unique chemical properties.

Key Features

  • Fluorine Substitution: The presence of the fluorine atom is noteworthy; this halogen is known to enhance the lipophilicity and metabolic stability of compounds. This can significantly influence the biological activity of the molecule.
  • Hydroxyl Group: The hydroxyl group contributes to hydrogen bonding, which can affect solubility and interaction with biological targets.
  • Amide Bond: The amide functionality present in the compound can further enhance its chemical reactivity and stability, making it a valuable structure in medicinal chemistry.

This compound also exemplifies the trend in drug discovery where complex structures are often necessary to modulate biological pathways effectively. For example, benzoic acids and their derivatives frequently serve as starting points for developing pharmaceuticals due to their widespread biological applications.

In the words of many chemists, “The true beauty of chemistry lies in the complexity and interconnectedness of molecular structures.” Thus, the design of this compound reflects modern strategies in medicinal chemistry aimed at optimizing drug-like properties.

Potential Applications

  • As a potential pharmaceutical agent, it could be explored for various therapeutic effects.
  • Its unique functional groups may allow for selective binding to biological targets, enhancing efficacy.
  • With further research, this compound could lead to the development of innovative treatments in fields such as oncology or neurology.

This remarkable compound is not just another entry in a chemical database; it represents an exciting frontier in organic and medicinal chemistry, bridging the gap between molecular design and practical applications.

Synonyms
BMS 961
185629-22-5
BMS-961
3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid
BMS961
BMS 189961
3-Fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-2-naphthalenyl)acetyl]amino]-benzoic acid
BENZOIC ACID, 3-FLUORO-4-[[(2R)-HYDROXY(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)ACETYL]AMINO]-
(R)-3-fluoro-4-(2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetamido)benzoic acid
BENZOIC ACID, 3-FLUORO-4-[[(2R)-HYDROXY(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)ACETYL
SCHEMBL165751
CHEMBL4216904
CHEBI:230491
BDBM393289
GLXC-02837
AKOS024457614
US9963439, BMS961
DB-218072
HY-108528
E98923
3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino]benzoic acid
3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid; BMS 961
3-Fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-acetylamino]-benzoic acid
3-Fluoro-4-{[hydroxy(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid