2,3-Dihydroxy-4-Methoxyacetophenone

NSC 46636 · 2,3-Dihydroxy-4-Methoxyacetohpe · Gallacetophenonemonomethylether · GALLACETOPHENONE-4-METHYL ETHER · GALLACETOPHENONE-4'-METHYL ETHER · Gallacetophenone 4-O-methyl ether · 4-METHOXY-2,3-DIHYDROXYACETOPHENONE · Dihydroxymethoxyacetohpenonehydrate

https://huagongshe.com/de/chemical/12820

Molekülstruktur von 2,3-Dihydroxy-4-Methoxyacetophenone

Identifikatoren & physikalische Daten

CAS No.	708-53-2
Summenformel	C9H10O4
Durchschnittliche Molmasse	182,17 g/mol
Monoisotopische Masse	182,0579088 g/mol
SMILES	COc1ccc(C(C)=O)c(O)c1O
InChIKey	VCONERRCKOKCHE-UHFFFAOYSA-N
PubChem CID	12820
ChEMBL	CHEMBL3093262
DTXSID	DTXSID10274518

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	66,8
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	13
Formalladung	0
Komplexität	192
Schmelzpunkt	133 °C
Siedepunkt	359.6±42.0 °C(Predicted)
Dichte	1.284±0.06 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	8.98±0.15(Predicted)
Farbe	Light yellow to Yellow to Green

Sicherheit & Vorschriften

Zollcode	2914.50.3000

Anwendungen & Verwendung

Verwenden

1-(2,3-Dihydroxy-4-methoxyphenyl)ethanone is a a neuroprotective compound isolated from Cynenchum paniculatum. It exerts neuroprotective and cognitive-enhancing activities through its antioxidant activity and may be helpful for the treatment of Alzheimer''s disease.

Herstellung & Synthese

synthetische

Preparation by reaction of acetic acid on pyrogallol 1-methyl ether, with zinc chloride at reflux (155–160°) (Nencki reaction); with boron trifluoride on a steam bath (77%).