| Identification | Back Directory | [Name]
Methyl 7-bromo-1H-indazole-5-carboxylate | [CAS]
1427460-96-5 | [Synonyms]
Methyl 7-bromo-1H-indazole-5-carboxylate
7-Bromo-1H-indazole-5-carboxylic acid methyl ester | [Molecular Formula]
C9H7BrN2O2 | [MDL Number]
MFCD22421936 | [MOL File]
1427460-96-5.mol | [Molecular Weight]
255.07 |
| Chemical Properties | Back Directory | [Boiling point ]
395.9±22.0 °C(Predicted) | [density ]
1.709±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
light sensitive solid | [pka]
10.62±0.40(Predicted) | [color ]
Brown | [InChI]
InChI=1S/C9H7BrN2O2/c1-14-9(13)5-2-6-4-11-12-8(6)7(10)3-5/h2-4H,1H3,(H,11,12) | [InChIKey]
KSHNFDKDSIQAGL-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=C(C(OC)=O)C=C2Br)C=N1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of methyl 7-bromo-1H-indazole-5-carboxylate from methyl 4-amino-3-bromo-5-methylbenzoate: to a mixture of methyl 4-amino-3-bromo-5-methylbenzoate (2.2 g, 9.1 mmol) in acetic acid (40 ml) was added slowly and dropwise a solution of sodium nitrite (6.27 g, 9.1 mmol) in water (9 ml). The reaction mixture was stirred at room temperature for 5 hours. Subsequently, the solvent was removed by distillation under reduced pressure. The resulting solid was ground with ethyl acetate (40 ml) and filtered. The filtrate was concentrated to give methyl 7-bromo-1H-indazole-5-carboxylate (575 mg, 25% yield). | [References]
[1] Patent: US2014/128391, 2014, A1. Location in patent: Paragraph 0599; 0602; 0603 |
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