(1,5-Dimethyl-1H-indazol-6-yl)boronic acid

Basic Information

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CAS Number

1310383-98-2

Molecular Formula

C9H11BN2O2

Molecular Weight

190.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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B(c1cc2c(cc1C)cnn2C)(O)O

InChI

InChI=1S/C9H11BN2O2/c1-6-3-7-5-11-12(2)9(7)4-8(6)10(13)14/h3-5,13-14H,1-2H3

InChIKey

JGAHSLPFNPGSNM-UHFFFAOYSA-N

LogP

-0.4384800000000001

Topological Polar Surface Area

58.28 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Synonyms & References

English

1,5-DIMETHYL-1H-INDAZOLE-6-BORONIC ACID
1,5-dimethyl-1H-indazol-6-yl-6-boronic acid

MDL Number

MFCD12028659

FAQ

What are the physical and chemical properties of (1,5-Dimethyl-1H-indazol-6-yl)boronic acid (CAS: 1310383-98-2)?

The (1,5-Dimethyl-1H-indazol-6-yl)boronic acid has a crystalline form at room temperature. Its molecular weight is approximately 298.29 g/mol. It shows limited solubility in water, with a solubility of about 0.1 g/L. This compound is relatively stable under normal conditions but reacts with strong acids. It is used in organic synthesis, particularly in coupling reactions involving boronic acids.

How is (1,5-Dimethyl-1H-indazol-6-yl)boronic acid (CAS: 1310383-98-2) typically synthesized?

The (1,5-Dimethyl-1H-indazol-6-yl)boronic acid is typically synthesized via a multistep process involving the preparation of 1,5-dimethylindazole followed by boronation. Common catalysts used in the synthesis include Pd(PPh3)4 and other palladium complexes. The yield can vary depending on the conditions, but it is generally around 70-80%.

What industries use (1,5-Dimethyl-1H-indazol-6-yl)boronic acid (CAS: 1310383-98-2)?

The (1,5-Dimethyl-1H-indazol-6-yl)boronic acid is used primarily in the pharmaceutical industry, particularly in drug discovery and synthesis. It is also utilized in polymer chemistry and sensor technology for its boronic acid functionality, which facilitates specific interactions with sugars and other compounds.

What precautions should be taken when handling (1,5-Dimethyl-1H-indazol-6-yl)boronic acid (CAS: 1310383-98-2)?

When handling (1,5-Dimethyl-1H-indazol-6-yl)boronic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be used in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for specific handling and disposal guidelines.