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

Basic Information

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CAS Number

864771-44-8

Molecular Formula

C18H25BN2O4

Molecular Weight

344.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

110 °C

Boiling Point

461.4°C at 760 mmHg

Density

1.13

Flash Point

232.8°C

Refractive Index

1.537

SMILES

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CC(C)(C)OC(=O)n1ncc2cc(ccc12)B3OC(C)(C)C(C)(C)O3

InChI

InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-14-9-8-13(10-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3

InChIKey

MMXDKXUKSKMROG-UHFFFAOYSA-N

LogP

3.1187000000000014

Topological Polar Surface Area

62.58000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

516

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1-Boc-5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate
1-Boc-1H-indalzole-5-boronic acid pinacol ester
1-BOC-1H-INDAZOLE-5-BORONIC ACID PINACOL ESTER
1H-Indazole-1-carboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)-1H-indazole-1-carboxylate
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate
1-Boc-indazole-5-boronic acid pinacol ester
1H-Indazole-5-boronic acid, pinacol ester, N1-BOC protected
N-Boc-indazole-5-boronic acid pinacol ester
tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate
5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
PubChem15609
MMXDKXUKSKMROG-UHFFFAOYSA-N
OR8862
MB06151

MDL Number

MFCD08437629

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate (CAS: 864771-44-8)?

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.

How is 2-Methyl-2-proanyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate (CAS: 864771-44-8) typically synthesized?

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.

What industries use 2-Methyl-2-proanyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate (CAS: 864771-44-8)?

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.

What precautions should be taken when handling 2-Methyl-2-proanyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate (CAS: 864771-44-8)?

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.