CAS 1771-65-9

2-methyl-4-oxo-4-phenylbutyric acid

Description:

2-Methyl-4-oxo-4-phenylbutyric acid, with the CAS number 1771-65-9, is an organic compound characterized by its structure, which includes a butyric acid backbone with a methyl group and a phenyl group attached to the alpha and beta positions, respectively. This compound typically appears as a white to off-white solid and is soluble in organic solvents, but its solubility in water is limited. It features a ketone functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of both the carboxylic acid and the ketone functional groups allows for various chemical transformations, making it useful in the synthesis of pharmaceuticals and other organic compounds. Additionally, its unique structure may impart specific biological activities, although detailed studies on its biological properties may be limited. As with many organic compounds, handling should be done with care, following appropriate safety protocols to mitigate any potential hazards associated with its use.

Formula: C₁₁H₁₂O₃

InChI: InChI=1/C11H12O3/c1-8(11(13)14)7-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)

SMILES: CC(CC(=O)c1ccccc1)C(=O)O

Synonyms:

• Benzenebutanoic acid, α-methyl-γ-oxo-
• 2-Methyl-3-benzoylpropionic acid
• 2-methyl-4-oxo-4-phenyl-butanoic acid
• α-Methyl-γ-oxobenzenebutyric acid
• 4-keto-2-methyl-4-phenyl-butyric acid
• 2-methyl-4-oxo-4-phenylbutanoic acid
• 2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID
• 2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID 98%

2-Methyl-4-oxo-4-phenylbutanoic acid

CAS: 1771-65-9

Formula: C₁₁H₁₂O₃

Color and Shape: Solid

Molecular weight: 192.2112

Ref: IN-DA00253Z

2-Methyl-4-oxo-4-phenylbutyric Acid

Controlled Product

CAS: 1771-65-9

Applications 2-Methyl-4-oxo-4-phenylbutyric Acid is a chemical reagent used in the synthesis of various pharmaceutically active compounds. Used in the synthesis of Minozac, a suppressor of brain proinflammatory cytokine up-regulation.
References Hu, W. et al.: Bioog. Med. Chem. Lett., 17, 414 (2007); Qabaja, G. ET AL.: J. ORG. CHEM., 80, 133 (2015);

Formula: C₁₁H₁₂O₃

Color and Shape: Neat

Molecular weight: 192.21

Ref: TR-M327155

2-Methyl-4-oxo-4-phenylbutyric acid

CAS: 1771-65-9

2-Methyl-4-oxo-4-phenylbutyric acid (or 2MO4PBA) is a potent, stereoselective, and endogenous agonist of the nuclear receptors ERβ and ERα. It has been shown to have therapeutic potential in the treatment of estrogen deficiency and metabolic disorders. This compound binds to the DNA response element at positions DR1, DR2, DR3, DR4, and DR5 of the human estrogen receptor. The binding affinity at these sites is around 10 times lower than that of estradiol. 2MO4PBA is metabolized by esterases in vivo to 2-methyl-3-oxobutyric acid (2MO3BA). The metabolic conversion from 2MO4PBA to 2MO3BA is stereoselective with respect to configuration at C2. 2MO3BA binds to ERβ but not ERα. Functional assays demonstrate that this compound is a potent agonist

Formula: C₁₁H₁₂O₃

Purity: Min. 98 Area-%

Color and Shape: Powder

Molecular weight: 192.21 g/mol

Ref: 3D-FM05057