581-31-7

Basic information

• Product Name: SUBEROSIN
• Synonyms: 6-Isopentenyl-7-methoxy-2H-1-benzopyran-2-one;7-Methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
• CAS NO: 581-31-7
• Molecular Formula: C₁₅H₁₆O₃
• Molecular Weight: 244.2857
• EINECS: 200-258-5
• Product Categories: Coumarins
• Mol File: 581-31-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: 87.5 °C(Solv: methanol (67-56-1))
• Boiling Point: 393.3 °C at 760 mmHg
• Flash Point: 166 °C
• Appearance: /
• Density: 1.126 g/cm³
• Vapor Pressure: 2.16E-06mmHg at 25°C
• Refractive Index: 1.556
• CAS DataBase Reference: SUBEROSIN(CAS DataBase Reference)
• NIST Chemistry Reference: SUBEROSIN(581-31-7)
• EPA Substance Registry System: SUBEROSIN(581-31-7)

Safety Data

• Hazardous Substances Data: 581-31-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3

Upstream product

• 73490-50-3 Z-4,5-dimethoxy-2-prenyloxycinnamic acid 

Downstream Products

• 38409-28-8 suberosin epoxide 
• 80368-68-9 6-((S)-3,3-Dimethyl-oxiranylmethyl)-7-methoxy-chromen-2-one 
• 129722-89-0 acrimarine-F 
• 4444-74-0 crenulatin 
• 74794-72-2 isosuberenyl hydroperoxide 
• 56881-04-0 isosuberenol 
• 74794-70-0 6-(2',3'-epoxy-1'-methoxy-3'-methylbutyl)-7-methoxycoumarin 
• 74794-69-7 6,6'-ethylenebis(7-methoxy-2H-1-benzopyran-2-one) 
• 38409-30-2 suberenol 
• 55051-72-4 6-(2',3'-epoxy-1'-hydroxy-3'methylbut)-7-methoxycoumarin 
• 18529-47-0 (1'E)-6-(3'-hydroxy-3'-methylbut-1'-enyl)-7-methoxycoumarin 
• 74794-82-4 7-methoxy-6-(3'-methyl-4'-phenylbut-2'-enyl)coumarin 

Relevant articles and documents

Claisen Rearrangement of Z- and E-4,5-Dimethoxy-2-prenyloxycinnamic Acids: Formation of Scopoletin, Suberosin and 3-Prenylscoparone

The Z- and E-4,5-dimethoxy-2-prenyloxycinnamic acids (2 and 6), obtained by ring opening of 6,7-dimethoxycoumarin (1; scoparone) under different conditions followed by prenylation, undergo Claisen rearrangement to give scopoletin (3) together with suberosin (4) and 3-prenylscoparone (7), respectively.The steric and sustituent effects have been discussed.