CAS 1590-22-3

4-(2-NAPHTHYL)-4-OXOBUTANOICACID

Description:

4-(2-Naphthyl)-4-oxobutanoic acid, with the CAS number 1590-22-3, is an organic compound characterized by its naphthalene-derived structure, which contributes to its aromatic properties. This compound features a butanoic acid backbone with a ketone functional group, making it a member of the class of compounds known as ketones and carboxylic acids. Its molecular structure includes a naphthyl group, which enhances its hydrophobic characteristics and may influence its reactivity and solubility in organic solvents. The presence of both a carbonyl and a carboxylic acid functional group suggests potential for various chemical reactions, including esterification and condensation. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Additionally, its unique structure may allow for interactions with biological targets, potentially leading to applications in medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₄H₁₁O₃

InChI: InChI=1/C14H12O3/c15-13(7-8-14(16)17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,16,17)/p-1

SMILES: c1ccc2cc(ccc2c1)C(=O)CCC(=O)[O-]

Synonyms:

• 2-Naphthalenebutanoic acid, gamma-oxo-
• 4-(2-Naphthyl)-4-oxobutanoic acid
• 4-(Naphthalen-2-Yl)-4-Oxobutanoic Acid
• 4-Naphthalen-2-Yl-4-Oxobutanoate

2-Naphthalenebutanoic acid, γ-oxo-

CAS: 1590-22-3

Formula: C₁₄H₁₂O₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 228.2433

Ref: IN-DA001R39

4-(Naphthalen-2-yl)-4-oxobutanoic acid

CAS: 1590-22-3

4-(Naphthalen-2-yl)-4-oxobutanoic acid

Purity: 95%

Ref: 54-OR1038500

4-(2-Naphthyl)-4-oxobutyric acid

CAS: 1590-22-3

Formula: C₁₄H₁₂O₃

Purity: 95%

Color and Shape: Solid

Molecular weight: 228.247

Ref: 10-F207182

4-(2-Naphthyl)-4-oxobutyric acid

CAS: 1590-22-3

4-(2-Naphthyl)-4-oxobutyric acid (4NOBA) is a crystalline compound with a carboxylic acid group. It has been used as an anticoagulant drug to treat thrombosis, and it is also used in the treatment of rheumatoid arthritis. 4NOBA has been shown to inhibit albumin synthesis by binding to the serum albumin, which prevents the interaction between serum albumin and other molecules. The crystal structure of 4NOBA consists of a central naphthalene ring with two phenyl rings on opposite sides. The molecule is symmetrical, so there are three possible geometries: 1) an equatorial plane where all four hydrogens are equivalent; 2) an axial plane where all four hydrogens are equivalent; 3) a mirror plane where one hydrogen is equivalent and three hydrogens are equivalent. The molecular formula for 4NOBA can be determined from its elemental analysis,

Formula: C₁₄H₁₂O₃

Purity: Min. 95%

Molecular weight: 228.24 g/mol

Ref: 3D-BAA59022