94953-78-3

Basic information

• Product Name: Thiocyanic acid, 3,4-dihydro-4-oxo-2-phenyl-2H-1-benzopyran-3-yl ester, trans-
• CAS NO: 94953-78-3
• Molecular Formula: C16H11NO2S
• Molecular Weight: 281.335
• Mol File: 94953-78-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Thiocyanic acid, 3,4-dihydro-4-oxo-2-phenyl-2H-1-benzopyran-3-yl ester, trans-(CAS DataBase Reference)
• NIST Chemistry Reference: Thiocyanic acid, 3,4-dihydro-4-oxo-2-phenyl-2H-1-benzopyran-3-yl ester, trans-(94953-78-3)
• EPA Substance Registry System: Thiocyanic acid, 3,4-dihydro-4-oxo-2-phenyl-2H-1-benzopyran-3-yl ester, trans-(94953-78-3)

Safety Data

• Hazardous Substances Data: 94953-78-3(Hazardous Substances Data)

Upstream product

• 67139-31-5 trans-3-mesyloxyflavanone 

Downstream Products

• 6928-56-9 3-aminoflavone 
• 94953-60-3 3-cyanothioflavone 

Relevant articles and documents

FLAVONOIDS, 39. THE REACTION OF 3-MESYLOXYFLAVANONES WITH O- AND S-NUCLEOPHILES, SYNTHESIS OF 3-THIOCYANATO- AND 3-ACETYLTHIO-FLAVANONES

The action of either cyanate or acetate ions on trans-3-mesyloxyflavanones 1 led to the formation of flavones 2 and aurones while the reaction with the respective S-nucleophiles (thiocyanate and thioacetate ions) resulted in cis- and trans-3-thiocyanato- and 3-acetylthioflavanones (6 and 11).The participation of the concurrent nucleophilic substitution, β-elimination and elimination with ring-contraction is dependent on the "hard-soft" character of the nucleophile and the increase of the "soft" character favours the displacement.