6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole | CAS No. 861905-87-5

6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole

Basic Information

CAS Number

861905-87-5

Molecular Formula

C12H15BN2O2

Molecular Weight

230.08 g/mol

AD

Basic Physical Properties

Melting Point

134-139 °C

Boiling Point

419.9±18.0 °C(Predicted)

Density

1.18±0.1 g/cm3(Predicted)

CC1(C)COB(C2=CC3=C(C=C2)C=NN3)OC1

InChI

InChI=1S/C12H15BN2O2/c1-12(2)7-16-13(17-8-12)10-4-3-9-6-14-15-11(9)5-10/h3-6H,7-8H2,1-2H3,(H,14,15)

InChIKey

HQKMAMPORASMRV-UHFFFAOYSA-N

LogP

1.3310999999999997

pKa

13.78±0.40(Predicted)

Topological Polar Surface Area

47.14 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

  • INDAZOLE-6-BORONIC ACID PINACOL ESTER
  • 1H-Indazole-6-boronic acid pinacol ester
  • 1H-Indazole-6-boronic aci...
  • 6-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole
  • 1H-Indazole, 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
  • 6-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2H-indazole
  • 1H-Indazole,6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
  • 1H-Indazole-6-boronic acid pinacol ester
  • 6-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-INDAZOLE
  • Indazole-6-boronic acid pinacol ester
  • 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole

MDL Number

MFCD22415470

FAQ

What are the physical and chemical properties of 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole (CAS: 861905-87-5)?

6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole is a crystalline compound with a molecular weight of approximately 310.34 g/mol. It has low water solubility and moderate solubility in organic solvents. Chemically, it exhibits good stability under normal conditions but can react with strong acids or bases. It is typically used in organic synthesis and pharmaceutical applications.

How is 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole (CAS: 861905-87-5) typically synthesized?

6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole can be synthesized through a multistep process involving the use of boronic acids and indazoles. Common synthetic methods include Suzuki coupling reactions, utilizing palladium catalysts to achieve high yields and good selectivity. Detailed procedures and safety measures should be followed to ensure optimal results.

What industries use 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole (CAS: 861905-87-5)?

6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole is primarily used in pharmaceuticals for drug synthesis, polymer science for functional materials, and as a precursor in sensor and semiconductor manufacturing. Its unique structure makes it valuable in various chemical and industrial applications.

What precautions should be taken when handling 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole (CAS: 861905-87-5)?

When handling 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-indazole, use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a fume hood to minimize inhalation risks. Store the compound in a cool, dry place away from strong acids, bases, and oxidizers. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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