3-Methoxy-2-methyl-1H-pyridin-4-one

HCID 323424CAS 53603-11-5

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Grundinformationen

Standard-SMILES: COc1c(C)[nH]ccc1=O
InChIKey: GNWSQENQZGWCSW-UHFFFAOYSA-N
Summenformel: C7H9NO2
Durchschnittliche Molmasse: 139,15 g/mol
Monoisotopische Masse: 139,06332853

Namen und Bezeichner

Bevorzugter Name: 3-Methoxy-2-methyl-1H-pyridin-4-one
IUPAC: 3-methoxy-2-methyl-1H-pyridin-4-one
Englischer Name: 3-Methoxy-2-methyl-1H-pyridin-4-one
Summenformel: C7H9NO2
Molmasse: 139.15

Namen und Synonyme

3-Methoxy-2-methyl-1H-pyridin-4-oneRefChem:503067616-282-976015-11-73-methoxy-2-methylpyridin-4(1H)-one53603-11-53-Methoxy-2-methylpyridin-4-ol3-methoxy-2-methyl-pyridin-4-ol3-methoxy-2-methyl-1,4-dihydropyridin-4-oneMFCD030939943-Methoxy-2-methyl-4-pyridinol4(1H)-Pyridinone, 3-methoxy-2-methyl-

Weitere Namen anzeigen

Pantoprazole Impurity 413-methoxy-2-methyl-4-pyridone3-Methoxy-2-methylpyridin-4(1H)2-Methyl-3-methoxypyridine-4-one2-methyl-3-methoxy-4(1H)-pyridinone3-Methoxy-2-methyl-4(1H)-pyridinone3-methoxy-2-methyl-1H-pyridine-4-one

4-Pyridinol, 3-methoxy-2-methyl-3-Methoxy-2-methyl-4-(1H)-pyridoneNSC2834713-Methoxy-2-methyl-4-pyridinol #AKOS005622485SY0974263-Methoxy-2-methyl-1H-pyridin-4-one, 97%3-Methoxy-2-methyl-4(1H)-pyridone; NSC 283471

Datenbank-Bezeichner

CAS: 53603-11-5、76015-11-7
PubChem CID: 323424
DTXSID: DTXSID00968378
EC Number: 616-282-9
Nikkaji: J109.270G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 216

Physikochemische Eigenschaften

Schmelzpunkt: 156 · 156-160 °C (lit.)
Siedepunkt: 252.7 · 252.7±40.0 °C(Predicted)
Dichte: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 11.07 · 11.07±0.69(Predicted)
Farbe: Beige
InChI: 1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)
InChIKey: GNWSQENQZGWCSW-UHFFFAOYSA-N
SMILES: COC1=C(C)NC=CC1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-Methoxy-2-methylpyridin-4(1H)-one has been used as a reactant for the synthesis of 4-pyridone nucleoside derivatives as potential antitumor agents.