2145-27-9

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2145-27-9 Structure

Identification	Back Directory
[Name] 7-Fluoro-4-hydroxy-2H-chromen-2-one
[CAS] 2145-27-9
[Synonyms] 7-Fluoro-4-hydroxycoumarin 7-Fluoro-4-hydroxy-2H-chromen-2-one 7-Fluoro-4-hydroxy-2H-1-benzopyran-2-one 7-Fluoro-4-hydroxy-1(2H)-benzopyran-2-one 2H-1-Benzopyran-2-one, 7-fluoro-4-hydroxy-
[Molecular Formula] C9H5FO3
[MDL Number] MFCD11845381
[MOL File] 2145-27-9.mol
[Molecular Weight] 180.13

Chemical Properties	Back Directory
[Melting point ] 220-225°C
[Boiling point ] 339.4±42.0 °C(Predicted)
[density ] 1.549±0.06 g/cm3(Predicted)
[storage temp. ] Store at room temperature
[form ] solid
[pka] 4.50±1.00(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C9H5FO3/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,11H
[InChIKey] FSWKHPJLMMGTBV-UHFFFAOYSA-N
[SMILES] OC1=CC(=O)Oc2cc(F)ccc12

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[Hazard Codes ] Xn
[Risk Statements ] 22
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

[Uses]

Reactant for:

Enantioselective synthesis of polycyclic coumarins via in situ formed primary amine-imine-catalyzed asymmetric Michael addition to cyclic enones
Preparation of dicoumarol analogs as inhibitors of human NAD(P)H quinone oxidoreductase-1 (NQO1) as agents active against human pancreatic and colon cancer cells
Imidazolidinecarboxylic acid-catalyzed asymmetric Michael reaction with unsaturated ketones in a highly atom-economic catalytic one-step formation of optically active warfarin anticoagulant
Asymmetric synthesis of functionalized α-keto esters and their hemiketal and hemiaminal derivatives via direct Michael addition with unsaturated α-keto esters catalyzed by bisoxazoline-copper(II) complexes

Spectrum Detail	Back Directory
[Spectrum Detail] 7-Fluoro-4-hydroxy-2H-chromen-2-one(2145-27-9)¹HNMR

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