5-Methoxyisatin

5-Methoxyisatin Basic information
Product Name:5-Methoxyisatin
Synonyms:5-METHOXY-2,3-INDOLINEDIONE;5-METHOXYINDOLE-2,3-DIONE;5-METHOXYISATIN;AKOS AU36-M122;5-methoxy-1h-indole-2,3-dione;5-methoxy-1h-indole-3-dione;5-methoxy-indole-3-dione;5-Methoxyisatin,98%
CAS:39755-95-8
MF:C9H7NO3
MW:177.16
EINECS:670-372-2
Product Categories:Indane/Indanone and Derivatives;Indoline & Oxindole;Indoles;Simple Indoles
Mol File:39755-95-8.mol
5-Methoxyisatin Structure
5-Methoxyisatin Chemical Properties
Melting point 201-203°C
density 1.346±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
form powder to crystal
pka9.73±0.20(Predicted)
color Orange to Amber to Dark red
Water Solubility Soluble in cold water.
InChIInChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
InChIKeyDMHGXMPXHPOXBF-UHFFFAOYSA-N
SMILESN1C2=C(C=C(OC)C=C2)C(=O)C1=O
CAS DataBase Reference39755-95-8(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37/39
RTECS NL7938000
HazardClass IRRITANT
HS Code 29339900
MSDS Information
ProviderLanguage
ALFA English
5-Methoxyisatin Usage And Synthesis
Chemical PropertiesDark red to brown solid
Uses5-Methoxyisatin is used for Pharmaceutical intermediates, a raw material used in chemical synthesis.
PreparationUsing water as solvent, 5-methoxyaniline reacted with chloral hydrate and hydroxylamine hydrochloride at 90 ℃ for 3.5h to obtain p-methoxyisonitrosoacetanilide in 95% yield. After hydrolysis, 5-methoxyisatin was obtained in 88% yield by cyclization at 92℃ with concentrated H2SO4 (75%).
DefinitionChEBI: 5-Methoxyisatin is a member of indoles. It has a role as an anticoronaviral agent.
Synthesis Reference(s)The Journal of Organic Chemistry, 42, p. 1344, 1977 DOI: 10.1021/jo00428a016
1-(6-CHLOROHEXYL)-5-METHOXY-1H-INDOLE-2,3-DIONE AKOS BBS-00005982 Methoxy 2-Methoxyethanol Anisole (Trifluoromethoxy)benzene AKOS BBS-00005983 5-phenoxy-1H-indole-2,3-dione 5-(TRIFLUOROMETHOXY)ISATIN AKOS BBS-00005977 AKOS BBS-00005976 p-Anisidine Methoxyacetic acid AKOS BBS-00005462 Indole 5-Methoxyisatin AKOS BBS-00005463 AKOS BBS-00005457

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