71942-06-8

Basic information

• Product Name: 6-(CarboxyMethyl)-7-hydroxy-8-Methoxy CouMarin
• Synonyms: 6-(CarboxyMethyl)-7-hydroxy-8-Methoxy CouMarin;6-(7-Hydroxy-8-MethoxycouMaryl)acetic Acid;7-Hydroxy-8-Methoxy-2-oxo-2H-1-benzopyran-6-acetic Acid
• CAS NO: 71942-06-8
• Molecular Formula: C12H10O6
• Molecular Weight: 250.2042
• Product Categories: Aromatics;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
• Mol File: 71942-06-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 551.1°C at 760 mmHg
• Flash Point: 219.9°C
• Appearance: /
• Density: 1.498g/cm³
• Vapor Pressure: 5.57E-13mmHg at 25°C
• Refractive Index: 1.63
• CAS DataBase Reference: 6-(CarboxyMethyl)-7-hydroxy-8-Methoxy CouMarin(CAS DataBase Reference)
• NIST Chemistry Reference: 6-(CarboxyMethyl)-7-hydroxy-8-Methoxy CouMarin(71942-06-8)
• EPA Substance Registry System: 6-(CarboxyMethyl)-7-hydroxy-8-Methoxy CouMarin(71942-06-8)

Safety Data

• Hazardous Substances Data: 71942-06-8(Hazardous Substances Data)

Usage

Uses

The major metabolite of 8-Methoxy Psoralen (M260795).

InChI:InChI=1/C12H10O6/c1-17-12-10(16)7(5-8(13)14)4-6-2-3-9(15)18-11(6)12/h2-4,16H,5H2,1H3,(H,13,14)

Upstream product

• 72939-38-9 7-(Allyloxy)-8-methoxycoumarin 
• 93-35-6 7-hydroxy-2H-chromen-2-one 
• 72939-37-8 7-(Allyloxy)-8-hydroxycoumarin 
• 72939-36-7 8-Acetyl-7-(allyloxy)coumarin 
• 66510-36-9 7-Acetoxy-6-(formylmethyl)-8-methoxycoumarin 
• 5307-54-0 7-Acetoxy-6-allyl-8-methoxycoumarin 
• 66510-31-4 6-Allyl-7-hydroxy-8-methoxycoumarin 
• 6748-68-1 8-acetyl-7-hydroxycoumarin 
• 10387-49-2 7-acetyloxycoumarin 
• 72939-39-0 7-Acetoxy-6-(carboxymethyl)-8-methoxycoumarin 

Relevant articles and documents

Total Synthesis of the Major Metabolite of Methoxsalen

The total synthesis of the 6-coumarinylacetic acid (15), the major metabolic isolate of methoxsalen (1), starting from umbelliferone (5) is described.Several derivatives of a second metabolite, 4, were also prepared from the common intermediate aldehyde 13.This preparation involves a novel rearrangement of the bromoacetate 20 to the acetoxyphenol 21.A mechanism for the displacement reactions of the metabolite 4 and its derivative 21 implicating the transient enone 24 is presented.