4-Hydroxy-1-methyl-2-chinolon

4-Hydroxy-N-methylcarbostyril

HCID 54686436

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Grundinformationen

CAS: 1677-46-9
Standard-SMILES: Cn1c(=O)cc(O)c2ccccc21
InChIKey: RTNPPPQVXREFKX-UHFFFAOYSA-N
Summenformel: C10H9NO2
Durchschnittliche Molmasse: 175,18 g/mol
Monoisotopische Masse: 175,06332853

Überblick

N-methyl-4-hydroxy-2-quinolinone is a quinolone and a hydroxyquinoline.

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxy-N-methylcarbostyril
IUPAC: 4-hydroxy-1-methylquinolin-2-one
Lokaler Name: 4-Hydroxy-1-methyl-2-chinolon
Englischer Name: 4-Hydroxy-1-methyl-2-quinolone
Summenformel: C10H9NO2
Molmasse: 175.18

Namen und Synonyme

1677-46-94-Hydroxy-1-methyl-2-quinolone4-hydroxy-1-methylquinolin-2(1H)-one4-Hydroxy-1-methyl-2(1H)-quinolone2(1H)-Quinolinone, 4-hydroxy-1-methyl-4-Hydroxy-1-methylcarbostyril4-Hydroxy-N-methylcarbostyril1-Methyl-4-hydroxycarbostyril4-Hydroxy-1-methyl-2(1H)-quinolinone1-Methyl-4-hydroxy-2-chinolonCARBOSTYRIL, 4-HYDROXY-1-METHYL-N-Methyl-4-hydroxykarbostyril

Weitere Namen anzeigen

AURORA KA-2363Compound Fr122474-hydroxy-1-methyl-carbostyri1-Methyl-4-hydroxy-2-quinolone

1-Methyl-4-hydroxy-2-chinolinonNSC 399731-Methyl-4-hydroxy-2-chinolon [Czech]EINECS 216-830-3N-Methyl-4-hydroxykarbostyril [Czech]1-methyl-4-hydroxy-2(1H)-quinolinone4-HYDROXY-N-METHYL-2-QUINOLONEBRN 1528990

Datenbank-Bezeichner

CAS: 1677-46-9
PubChem CID: 54686436
DTXSID: DTXSID0061874
ChEMBL: CHEMBL2022051
ChEBI: CHEBI:227249
UNII: V713CAW761
EC Number: 216-830-3
Nikkaji: J7.755K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 260

Physikochemische Eigenschaften

Schmelzpunkt: 269 · 269-271 °C (lit.)
Siedepunkt: 306.47 °C · 306.47°C (rough estimate)
Dichte: 1.326 · 1.326
Brechungsindex: 1.506 · 1.5060 (estimate)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 4.5 · 4.50±1.00(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light yellow to Brown to Dark green
InChI: InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3
InChIKey: RTNPPPQVXREFKX-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C(O)=CC1=O
CAS Datenbank: 1677 · 1677-46-9(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2(1H)-Quinolinone, 4-hydroxy-1-methyl- (1677-46-9)

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 2(1H)-Quinolinone, 4-hydroxy-1-methyl-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2933499090
RTECS-Nr.: FG7350000
risk_code: 36/37/38
Toxizität: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01354,
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2(1H)-Quinolinone, 4-hydroxy-1-methyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden4-Hydroxy-1-methyl-2(1H)-quinolone was used as nucleophile in electrochemical oxidation of catechols and the reaction was studied by cyclic voltammetry and controlled-potential coulometry. It was used in ceric ammonium nitrate-mediated oxidative cycloaddition of 1,3-dicarbonyls to conjugated compounds to yield substituted dihydrofurans, dihydrofurocoumarins, dihydrofuroquinolinones and dihydrofurophenalenones. It was used in the synthesis of :3-(4-methoxybenzyl)-4-hydroxy-1-methylquinolinone3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-hydroxy-1-methylquinolin-2(1H)-one3-(4-chlorobenzyl)-4-hydroxy-1-methylquinolin-2(1H)-one3,3′-bis(4-chlorobenzylidene)-1,10-methylquinolin-2,20-(1H)-one