100037-68-1

Basic information

• Product Name: 6-chloro-2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one
• CAS NO: 100037-68-1
• Molecular Formula: C₁₉H₁₅ClO₄
• Molecular Weight: 342.773
• Mol File: 100037-68-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 506.5°C at 760 mmHg
• Flash Point: 260.1°C
• Density: 1.383g/cm³
• Vapor Pressure: 4.4E-11mmHg at 25°C
• Refractive Index: 1.64
• CAS DataBase Reference: 6-chloro-2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-chloro-2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one(100037-68-1)
• EPA Substance Registry System: 6-chloro-2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one(100037-68-1)

Safety Data

• Hazardous Substances Data: 100037-68-1(Hazardous Substances Data)

Usage

Properties

1. Chemical compound
2. Chromenone derivative
3. Chlorine atom at the 6-position
4. Hydroxyl group at the 2-position
5. 3-(3-oxo-1-phenylbutyl) substituent at the 3-position
6. Potential pharmacological and medicinal applications
7. Antioxidant, anti-inflammatory, and anticancer properties

Specific content

Chlorine atom at the 6-position
Hydroxyl group at the 2-position
3-(3-oxo-1-phenylbutyl) substituent at the 3-position
Chromenone scaffold
Potential pharmaceutical uses
Need for further study and research

Upstream product

• 1734-62-9 2-acetoxy-5-chloro-benzoic acid 
• 321-14-2 5-chloro-2-hydroxybenzoic acid 
• 5538-53-4 2-acetoxy-5-chlorobenzoyl chloride 
• 14206-91-8 ethyl 6-chloro-4-hydroxy-2-oxo-2H-chromene-3-carboxylate 
• 122-57-6 1-Phenylbut-1-en-3-one 

Relevant articles and documents

Analogs of 3-(1-Phenyl-3-oxobutyl)-4-hydroxycoumarin (Warfarin) Prepared from Substituted Salicylic Acids

Some derivatives of salicylic acid containing substituents meta to the carboxyl group were used to prepare analogs of the anticoagulant drug warfarin, 3-(1-phenyl-3-oxobutyl)-4-hydroxycoumarin, containing substituents in either the 6- or 8-position of the coumarin ring.When the substituent was the hydroxyl group, the resulting products are previously identified metabolites of warfarin.The substituted salicylic acid is first acetylated with acetic anhydride, then either converted to the acid chloride and condensed with diethyl malonate in the presence of sodium hydroxide or converted to the mixed anhydride with formic acid and condensed with ethoxymagnesium diethyl malonate to yield, in either case, the corresponding 3-carbethoxy-4-hydroxycoumarin substituted in the 6- or 8-position of the coumarin ring.These compounds readily condense with benzalacetone to form the corresponding substituted warfarin in the presence of 5 mole percent tertiary amine catalyst.This method offers an improved route for the synthesis or 8-hydroxywarfarin.