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2-Methyl-2-propanyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate(CAS: 864771-44-8)

2-Methyl-2-propanyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate
CAS Number

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Basic Information

Molecular Formula
C18H25BN2O4
Molecular Weight
344.22 g/mol

Physical Properties

Melting Point
110 °C
Boiling Point
461.4°C at 760 mmHg
Density
1.13
Flash Point
232.8°C

Chemical Identifiers

SMILES
CC(C)(C)OC(=O)n1ncc2cc(ccc12)B3OC(C)(C)C(C)(C)O3
InChIKey
MMXDKXUKSKMROG-UHFFFAOYSA-N

Database References

MDL Number
MFCD08437629

FAQ

The compound has a crystalline form with a molecular weight of approximately 518.48 g/mol. It is poorly soluble in water but soluble in organic solvents like DMSO and DMF. Chemically, it is stable under normal conditions but can react with strong acids or bases. Its reactivity is due to the presence of the dioxaborolane moiety.
The compound is typically synthesized using a palladium-catalyzed coupling reaction between 2-methyl-2-proanyl carboxylic acid and 5-bromo-1H-indazole, in the presence of a borate ester and a palladium catalyst like Pd(PPh3)4. The yield is typically high, and the reaction is selective.
This compound is used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It is also used in the development of new materials and sensors, particularly in the field of optoelectronics due to its unique optical properties.
When handling this compound, protective gloves and eye protection are recommended. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled with appropriate PPE and cleaned up immediately. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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