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Chemical Structure| 221006-63-9 Chemical Structure| 221006-63-9

Structure of 221006-63-9

Chemical Structure| 221006-63-9

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Product Details of [ 221006-63-9 ]

CAS No. :221006-63-9
Formula : C9H11BO5
M.W : 209.99
SMILES Code : COC(=O)C1=CC(B(O)O)=C(OC)C=C1
MDL No. :MFCD09800877
InChI Key :YMNSQEWMBIZWOA-UHFFFAOYSA-N
Pubchem ID :9837205

Safety of [ 221006-63-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 221006-63-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 221006-63-9 ]

[ 221006-63-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 221006-63-9 ]
  • [ 1000342-95-9 ]
  • [ 1454296-45-7 ]
YieldReaction ConditionsOperation in experiment
71.0% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate; In 1,4-dioxane; water; at 140℃; for 0.75h;Microwave irradiation; EXAMPLE 263 : methyl 4-methoxy-3-(6-(trifluoromethyl)- lH-indazol-4- yl)benzoate [0818] A vial was charged with a mixture of 4-bromo-6-(trifluoromethyl)-lH-indazole (0.631 g, 2.381 mmol), (2-methoxy-5-(methoxycarbonyl)phenyl)boronic acid (0.5 g, 2.381 mmol) and PdCl2(dppf) (0.087 g, 0.119 mmol) in dioxane (10 mL) and aqueous saturated NaHCC"3 (3 mL). The resulting light brown suspension was heated at 140°C for 45 minutes in a microwave reactor. The reaction mixture was subsequently concentrated and the crude residue was diluted with DCM and washed with water, concentrated, and then purified by CombiFlash® chromatography, eluting with a gradient of 0-40percent MeOH in DCM over a period of 200 minutes. The product-containing fractions were combined and concentrated to give the title compound as a light brown solid (0.592 g, 71.0percent). 1H NMR (400 MHz, DMSO- d6) delta ppm 3.85 (s, 3 H), 3.84 (s, 3 H), 7.21-7.46 (m, 2 H), 7.89-7.99 (m, 3 H), 8.10 (dd, J=8.59, 2.27 Hz, 1 H), 13.62 (s, 1 H); ESI-MS m/z [M+H]+ calc'd for C17H13F3N2O3, 351.1; found 351.16
 

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[ 221006-63-9 ]

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