CAS 3361-13-5

4-Methyl-7-(1-oxopropoxy)-2H-1-benzopyran-2-one

Description:

4-Methyl-7-(1-oxopropoxy)-2H-1-benzopyran-2-one, with the CAS number 3361-13-5, is a synthetic organic compound belonging to the class of flavonoids, specifically a coumarin derivative. This compound features a benzopyran structure, which is characterized by a fused benzene and pyran ring system. The presence of a methyl group at the 4-position and a propoxycarbonyl group at the 7-position contributes to its unique chemical properties. It is typically a pale yellow to white crystalline solid, exhibiting moderate solubility in organic solvents and limited solubility in water. The compound may exhibit biological activities, including antioxidant and anti-inflammatory properties, making it of interest in pharmaceutical and nutraceutical research. Its molecular structure allows for potential interactions with various biological targets, which could be explored for therapeutic applications. As with many organic compounds, proper handling and safety precautions are essential due to potential toxicity or reactivity.

Formula: C₁₃H₁₂O₄

InChI: InChI=1/C13H12O4/c1-3-12(14)16-9-4-5-10-8(2)6-13(15)17-11(10)7-9/h4-7H,3H2,1-2H3

InChI key: InChIKey=IOKUIFTUULBXMB-UHFFFAOYSA-N

SMILES: CC=1C=2C(=CC(OC(CC)=O)=CC2)OC(=O)C1

Synonyms:

• 2H-1-Benzopyran-2-one, 4-methyl-7-(1-oxopropoxy)-
• 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone
• 4-Methyl-7-(1-oxopropoxy)-2H-1-benzopyran-2-one
• 4-methyl-2-oxo-2H-chromen-7-yl propanoate
• Coumarin, 7-hydroxy-4-methyl-, propionate
• 4-Methylumbelliferyl propionate

4-Methylumbelliferyl propionate

CAS: 3361-13-5

4-Methylumbelliferyl propionate is a fluorogenic substrate for esterase. After enzymatic cleaveage, free 4-methylumbelliferone (also known as hymecromone) is released, exhibiting blue fluorescence upon excitation with UV light. The strongest fluorescence of 4-methylumbelliferone requires deprotonation of the hydroxyl group (thus requires alkaline pH), with a maximal fluorescence intensity obtained with excitation at 350 to 370 nm and emission at 440 to 470 nm. The use of 4-methylumbelliferyl propionateas a substrate for measuring the esterase activity is used for esterase deficiency screening assays.

Formula: C₁₃H₁₂O₄

Purity: Min. 95 Area-%

Color and Shape: Powder

Molecular weight: 232.23 g/mol

Ref: 3D-EM52254