4-Benzyloxy-2(1H)-pyridone

HCID 3607724CAS 53937-02-3

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Grundinformationen

Standard-SMILES: O=c1cc(OCc2ccccc2)cc[nH]1
InChIKey: DOVNUEPFPBWTSV-UHFFFAOYSA-N
Summenformel: C12H11NO2
Durchschnittliche Molmasse: 201,22 g/mol
Monoisotopische Masse: 201,07897859

Namen und Bezeichner

Bevorzugter Name: 4-Benzyloxy-2(1H)-pyridone
IUPAC: 4-phenylmethoxy-1H-pyridin-2-one
Englischer Name: 4-BENZYLOXY-2(1 H)-PYRIDONE
Summenformel: C12H11NO2
Molmasse: 201.22

Namen und Synonyme

4-Benzyloxy-2(1H)-pyridoneRefChem:518511628-287-353937-02-34-Benzyloxy-2-(1H)-pyridone4-BENZYLOXY-2-HYDROXYPYRIDINE4-Benzyloxypyridin-2-one4-(Benzyloxy)pyridin-2(1H)-one4-(Benzyloxy)pyridin-2-ol4-BENZYLOXY-2(1 H)-PYRIDONE4-phenylmethoxy-1H-pyridin-2-one2(1H)-Pyridinone, 4-(phenylmethoxy)-

Weitere Namen anzeigen

2G/10G/1KG4-Benzyloxy-pyridin-2-ol4-benzyloxy-2(1H)-pyrodone4-Benzyloxy-2(1 H)-pyridine4-Benzyloxypyridin-2-one?New4-(Benzyloxy)pyridin-2-ol 97%

4-(benzyloxy)-1,2-dihydropyridin-2-oneMFCD04039771MLS001360006SMR0012243274-Benzyloxy-1H-pyridin-2-one4-(phenylmethoxy)hydropyridin-2-one4-benzyloxypyridone4-benzyloxypyridinone

Datenbank-Bezeichner

CAS: 53937-02-3
PubChem CID: 3607724
DTXSID: DTXSID30394121
ChEMBL: CHEMBL1475400
EC Number: 628-287-3
Nikkaji: J281.983J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 288

Experimentelle und physikochemische Eigenschaften

Solubility>30.2 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 201 · 201-203 °C (lit.)
Siedepunkt: 464.3 · 464.3±45.0 °C(Predicted)
Dichte: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.09 · 11.09±0.10(Predicted)
Aggregatzustand: Powder
Farbe: Yellow to orange to brown
InChI: 1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
InChIKey: DOVNUEPFPBWTSV-UHFFFAOYSA-N
SMILES: O=C1NC=CC(OCc2ccccc2)=C1
CAS Datenbank: 53937 · 53937-02-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29337900
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

Verwenden4-Benzyloxy-2(1H)-pyridone may be used for the synthesis of novel 2-pyridone derivatives. It may be used for the alkylation of the pyridine nitrogen under mild and anhydrous conditions, via reaction with n-Bu4I and KOBu-t.