477-33-8

Basic information

• Product Name: 3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester
• Synonyms: 3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester;Samidin
• CAS NO: 477-33-8
• Molecular Formula: C₂₁H₂₂O₇
• Molecular Weight: 386.39518
• Product Categories: Aromatics;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 477-33-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 486.8°Cat760mmHg
• Flash Point: 211.5°C
• Appearance: /
• Density: 1.28g/cm³
• Vapor Pressure: 1.25E-09mmHg at 25°C
• Refractive Index: 1.574
• Storage Temp.: ?20°C
• CAS DataBase Reference: 3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester(477-33-8)
• EPA Substance Registry System: 3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester(477-33-8)

Safety Data

• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 477-33-8(Hazardous Substances Data)

Usage

Uses

A potent vasodilatory agent isolated from Ammi visnaga

InChI:InChI=1/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1

Upstream product

• 3350-78-5 3,3-Dimethylacryloyl chloride 
• 523-59-1 seseline 

Downstream Products

• 23733-92-8 trans-4'-O-methylkhellactone 
• 518-76-3 (+)-cis-khellactone 
• 518-76-3 trans-kellactone 
• 6005-18-1 dihydrosamidin 

Relevant articles and documents

ISOSAMIDIN ANALOG AND SAMIDIN ANALOG PRODUCTION METHOD

PROBLEM TO BE SOLVED: To provide a simple method of industrial-scale production of an isosamidin analog or samidin analog. SOLUTION: In the production method, a compound represented by the formula (1) in the figure is 1) senecioylated and 2) acetylated. [X is O or the like; R1 are each independently a C1-3 alkyl group or the like; R2 is H or the like; R3 are each a C1-3 alkyl group; m is an integer from 0 to 2; n is 1 or 2; and the symbol * represents an asymmetric center.] SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT