677737-41-6

Basic information

• Product Name: Phosphonic acid, [(4-chloro-2-oxo-2H-1-benzopyran-3-yl)hydroxymethyl]-, dimethyl ester
• CAS NO: 677737-41-6
• Molecular Formula: C12H12ClO6P
• Molecular Weight: 318.65
• Mol File: 677737-41-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Phosphonic acid, [(4-chloro-2-oxo-2H-1-benzopyran-3-yl)hydroxymethyl]-, dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Phosphonic acid, [(4-chloro-2-oxo-2H-1-benzopyran-3-yl)hydroxymethyl]-, dimethyl ester(677737-41-6)
• EPA Substance Registry System: Phosphonic acid, [(4-chloro-2-oxo-2H-1-benzopyran-3-yl)hydroxymethyl]-, dimethyl ester(677737-41-6)

Safety Data

• Hazardous Substances Data: 677737-41-6(Hazardous Substances Data)

Upstream product

• 50329-91-4 4-chloro-3-formylcoumarin 
• 96-36-6 methyl phosphite 

Downstream Products

• 136806-22-9 4-propylaminocoumarin-6-carbaldehyde 
• 167866-49-1 4-butylaminocoumarin-6-carbaldehyde 

Relevant articles and documents

Phosphorylation and amine-induced dephosphorylation of 4-chlorocoumarin-3- carboxaldehyde and 4-chloro-3-(β,β-dicyanoethenylidene)coumarin

4-Chlorocoumarin-3-carboxaldehyde (1) and 4-chloro-3-(β,β- dicyanoethenylidene)coumarin (2) produce their respective 1:1 phosphonate adducts (5a-c) and (6a-c) upon reaction with the appropriate dialkylphosphonates (3a-c). Compounds 5 undergo dechlorination and dephosphorylation upon reaction with certain primary aliphatic amines to yield 9 (or 10) according to the nature of the amine used. Compounds 1 and 2 undergo dechlorination through reaction with hexamethyl-phosphorustriamide 4 to give the respective 4-dimethylamino-derivatives (11a and 11b). Structural reasonings for the new compounds are based on compatible analytical and spectroscopic measurements. The mechanism for formation of compounds 11 also is discussed.