2829-46-1

Basic information

• Product Name: 3-CYANO-7-HYDROXY-4-METHYLCOUMARIN
• Synonyms: 7-HYDROXY-4-METHYL-2-OXO-2H-CHROMENE-3-CARBONITRILE;3-CYANO-7-HYDROXY-4-METHYLCOUMARIN;3-CYANO-7-HYDROXY-4-METHYLCOUMARIN 97%;7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile
• CAS NO: 2829-46-1
• Molecular Formula: C₁₁H₇NO₃
• Molecular Weight: 201.18
• Product Categories: API intermediates;Building Blocks;Coumarins;Heterocyclic Building Blocks
• Mol File: 2829-46-1.mol
• Article Data: 0

Chemical Properties

• Melting Point: 300-304 °C(lit.)
• Boiling Point: 429.72 °C at 760 mmHg
• Flash Point: 213.687 °C
• Appearance: /
• Density: 1.433 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.641
• CAS DataBase Reference: 3-CYANO-7-HYDROXY-4-METHYLCOUMARIN(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CYANO-7-HYDROXY-4-METHYLCOUMARIN(2829-46-1)
• EPA Substance Registry System: 3-CYANO-7-HYDROXY-4-METHYLCOUMARIN(2829-46-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 2829-46-1(Hazardous Substances Data)

Usage

Description

3-Cyano-7-hydroxy-4-methylcoumarin (CHMC) is a naturally occurring compound that has been isolated from the isopropanol extract of Curcuma longa, commonly known as turmeric. It is characterized by its unique chemical structure, which includes a cyano group, a hydroxyl group, and a methyl group attached to a coumarin backbone. This structure endows CHMC with specific chemical and biological properties that make it useful in various applications.

Uses

Used in Pharmaceutical Industry:
3-Cyano-7-hydroxy-4-methylcoumarin is used as a reagent for the stereo-specific preparation of RPand SP-O-alkyl methylphosphonyl-CHMC esters. These esters are important intermediates in the synthesis of various pharmaceutical compounds, particularly those with potential applications in the treatment of diseases such as cancer and neurological disorders. The stereo-specific nature of the preparation process ensures that the desired enantiomers are selectively produced, which is crucial for the efficacy and safety of the final drug products.
Used in Chemical Research:
In the field of chemical research, 3-Cyano-7-hydroxy-4-methylcoumarin serves as a valuable compound for studying the properties and reactivity of coumarin derivatives. Its unique structure allows researchers to explore various chemical reactions and transformations, leading to the development of new synthetic methods and the discovery of novel compounds with potential applications in various industries.
Used in Analytical Chemistry:
3-Cyano-7-hydroxy-4-methylcoumarin can also be employed as a fluorescent probe or marker in analytical chemistry. Its inherent fluorescence properties make it suitable for detecting and quantifying specific analytes in complex samples, such as those found in environmental, pharmaceutical, or biological matrices. This application can be particularly useful in the development of sensitive and selective analytical methods for monitoring the presence of target compounds in various contexts.

InChI:InChI=1/C11H7NO3/c1-6-8-3-2-7(13)4-10(8)15-11(14)9(6)5-12/h2-4,13H,1H3