Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylate

HCID 2773516CAS 199328-10-4

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc2c(c1)CC(=O)N2
InChIKey: CYBPPDZFRDSSME-UHFFFAOYSA-N
Summenformel: C10H9NO3
Durchschnittliche Molmasse: 191,18 g/mol
Monoisotopische Masse: 191,05824315

Namen und Bezeichner

Bevorzugter Name: Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylate
IUPAC: methyl 2-oxo-1,3-dihydroindole-5-carboxylate
Englischer Name: Methyl oxindole-5-carboxylate
Summenformel: C10H9NO3
Molmasse: 191.18

Namen und Synonyme

Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylateRefChem:812920640-948-8199328-10-4Methyl Oxindole-5-carboxylateMethyl 2-Oxoindoline-5-carboxylateMethyl 2-oxindole-5-carboxylatemethyl 2-oxo-2,3-dihydro-1H-indole-5-carboxylate1H-Indole-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl estermethyl 2-oxo-1,3-dihydroindole-5-carboxylateMFCD02179600methyl 2-oxo-5-indolinecarboxylate

Weitere Namen anzeigen

Methyl 2-oxindole-5-carbo...Methyl-2-Dxoindline-5-carboxylateMethyl oxindole-5-carboxylate 96%METHYL 2-OXINDOLINE-5-CARBOXYLATEMethyl 2-oxindole-5-carboxylate 96%

2-OXO-2,3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER5-(METHOXYCARBONYL)-2-OXINDOLESY0043532-INDOLINONE-5-CARBOXYLIC ACID METHYL ESTER5-methoxycarbonyloxindoleMethylOxindole-5-carboxylateV8ENE686EG5-Methoxycarbonyl-2-oxindole

Datenbank-Bezeichner

CAS: 199328-10-4
PubChem CID: 2773516
DTXSID: DTXSID60378515
UNII: V8ENE686EG
EC Number: 640-948-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 55,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 264

Physikochemische Eigenschaften

Schmelzpunkt: 192 · 192-199
Siedepunkt: 405.6 · 405.6±45.0 °C(Predicted)
Dichte: 1.283 · 1.283±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 13.43 · 13.43±0.20(Predicted)
Farbe: Very Dark Red to Very Dark Brown
InChI: InChI=1S/C10H9NO3/c1-14-10(13)6-2-3-8-7(4-6)5-9(12)11-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey: CYBPPDZFRDSSME-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(C(OC)=O)C=C2)CC1=O
CAS Datenbank: 199328 · 199328-10-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933790090
risk_code: 36/37/38
hazard_note: Harmful
safety_code: 26-36

Chemie und Industrie

Anwendungen

VerwendenMethyl indole-5-carboxylate may be used as a reactant in the following processes: biosynthesis of inhibitors of protein kinases metal-free Friedel-Crafts alkylation preparation of diphenylsulfonium ylides from Martin′s sulfurane.