2-Hydroxy-3',4'-dihydroxyacetophenone

HCID 22134444

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Grundinformationen

CAS: 29477-54-1
Standard-SMILES: O=C(CO)c1ccc(O)c(O)c1
InChIKey: LNZSKFZHPHBUDI-UHFFFAOYSA-N
Summenformel: C8H8O4
Durchschnittliche Molmasse: 168,15 g/mol
Monoisotopische Masse: 168,04225873

Überblick

1-(3,4-dihydroxyphenyl)-2-hydroxyethanone has been reported in Jasminum grandiflorum and Tamarindus indica with data available.

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-3',4'-dihydroxyacetophenone
IUPAC: 1-(3,4-dihydroxyphenyl)-2-hydroxyethanone
Englischer Name: 2-Hydroxy-3',4'-dihydroxyacetophenone
Summenformel: C8H8O4
Molmasse: 168.15

Namen und Synonyme

29477-54-11-(3,4-Dihydroxyphenyl)-2-hydroxyethanone2-Hydroxy-3',4'-dihydroxyacetophenoneDTXSID0012852275JU86666T7RefChem:1063333DTXCID7017159143,4-dihydroxyphenyl ethanol ketone1-(3,4-dihydroxyphenyl)-2-hydroxyethan-1-oneNorepinephrine Impurity 574-hydroxyacetyl-catecholSCHEMBL105705

Weitere Namen anzeigen

Norepinephrine Impurity 3dibenzylaminedibenzylamineNoradrenaline EP Impurity INoradrenaline Impurity 6/2-Hydroxy-3,4-dihydroxyacetophenone

SCHEMBL31509307LNZSKFZHPHBUDI-UHFFFAOYSA-NZB0704AKOS006242285Noradrenaline (Norepinephrine) Impurity 21Noradrenaline (Norepinephrine) Impurity 212-Hydroxy-3a(2),4a(2)-dihydroxyacetophenoneEthanone, 1-(3,4-dihydroxyphenyl)-2-hydroxy-

Datenbank-Bezeichner

CAS: 29477-54-1
PubChem CID: 22134444
DTXSID: DTXSID001285227
UNII: 5JU86666T7
Nikkaji: J688.361C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 77,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 168

Physikochemische Eigenschaften

Schmelzpunkt: 195 °C · 195 °C(Solv: water (7732-18-5))
Siedepunkt: 447 · 447.0±35.0 °C(Predicted)
Dichte: 1.457 · 1.457±0.06 g/cm3(Predicted)
pka: 7.66 · 7.66±0.20(Predicted)

Chemie und Industrie

Darstellung · 1 Eintrag

synthetischeObtained by saponification of its triacetate (SM) (m.p. 94°) with sodium hydroxide (or sodium ethoxide) in ethanol in a water bath for 20 min (33%). SM was prepared by treatment of 3,4-dihydroxy-a-chloroacetophenone with potassium acetate in refluxing acetic anhydride for 15 min (quantitative yield).