Introduction：Basic information about 5-Methoxyisatin CAS 39755-95-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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 |
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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 |
| pka | 9.73±0.20(Predicted) |
| color | Orange to Amber to Dark red |
| Water Solubility | Soluble in cold water. |
| InChI | InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12) |
| InChIKey | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(OC)C=C2)C(=O)C1=O |
| CAS DataBase Reference | 39755-95-8(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 |
5-Methoxyisatin Usage And Synthesis
| Chemical Properties | Dark red to brown solid |
| Uses | 5-Methoxyisatin is used for Pharmaceutical intermediates, a raw material used in chemical synthesis. |
| Preparation | Using 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%). |
| Definition | ChEBI: 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 |
5-Methoxyisatin Preparation Products And Raw materials
| Raw materials | Hydrochloric acid-->Acetic acid-->Sodium sulfate-->Hydroxylamine hydrochloride-->p-Anisidine-->Methanesulfonic acid-->Chloral hydrate |
| Preparation Products | 6-Methoxy-2-(p-tolyl)quinoline-4-carboxylic acid-->5-Methoxy-3-indazolecarboxylic acid |
