| Identification | Back Directory | [Name]
4-methyl-5-nitro-1H-indole | [CAS]
165250-69-1 | [Synonyms]
4-Methyl-5-nitroindole
4-methyl-5-nitro-1H-indole
1H-Indole, 4-Methyl-5-nitro- | [Molecular Formula]
C9H8N2O2 | [MDL Number]
MFCD11035915 | [MOL File]
165250-69-1.mol | [Molecular Weight]
176.17 |
| Chemical Properties | Back Directory | [Boiling point ]
359.9±22.0 °C(Predicted) | [density ]
1.355±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
15.61±0.30(Predicted) | [Appearance]
Yellow to green Solid | [InChI]
InChI=1S/C9H8N2O2/c1-6-7-4-5-10-8(7)2-3-9(6)11(12)13/h2-5,10H,1H3 | [InChIKey]
XRJNLFAXLSBIDS-UHFFFAOYSA-N | [SMILES]
N1C2=C(C(C)=C([N+]([O-])=O)C=C2)C=C1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 4-methyl-5-nitro-1H-indole using 5-nitroindole as starting material: to an anhydrous THF solution (20 mL) of 5-nitroindole (purchased from Aldrich, 0.82 g, 5.1 mmol) was slowly added methylmagnesium bromide (5.0 mL, 15 mmol), and the reaction was stirred continuously for 1 hr at 25 °C. Subsequently, the reaction was quenched by addition of THF solution of tetrachloro-1,4-benzoquinone (1.2 g, 4.9 mmol). The reaction mixture was concentrated under reduced pressure to give a dark colored solid. This solid was purified by column chromatography (eluent: 30% ethyl acetate/hexane) to give the final target product 4-methyl-5-nitro-1H-indole (0.72 g, 4.1 mmol, 80% yield). | [References]
[1] Patent: US5677321, 1997, A |
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| Company Name: |
GOALSY PHARMA
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+91-8247562464 +91-9885583385 |
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www.dnb.com |
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