Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate

Basic Information

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CAS Number

1346702-52-0

Molecular Formula

C12H13BrN2O2

Molecular Weight

297.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)c1cc(Br)cc2c1cnn2C(C)C

InChI

InChI=1S/C12H13BrN2O2/c1-7(2)15-11-5-8(13)4-9(12(16)17-3)10(11)6-14-15/h4-7H,1-3H3

InChIKey

PNWPGLSNRZLQEG-UHFFFAOYSA-N

LogP

3.1663000000000014

Topological Polar Surface Area

44.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

298

Synonyms & References

English

methyl 6-bromo-1-(propan-2-yl)-1H-indazole-4-carboxylate
METHYL 6-BROMO-1-ISOPROPYL-1H-INDAZOLE-4-CARBOXYLATE
methyl 6-bromo-1-propan-2-ylindazole-4-carboxylate
PNWPGLSNRZLQEG-UHFFFAOYSA-N
SB13132
AK184871
OR310529
Methyl 6-broMo-l-(l- Methylethyl)-lH-indazole-4-carboxylate
methyl 6-bromo-1-(1-methylethyl)-1H-indazole-4-carboxylate
1H-Indazole-4-carboxylic acid, 6-bromo-1-(1-methylethyl)-,

MDL Number

MFCD26407262

FAQ

What are the physical and chemical properties of Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate (CAS: 1346702-52-0)?

Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate is a solid with a crystalline form. Its molecular weight is approximately 347.03 g/mol. The compound has limited water solubility but excellent solubility in organic solvents like DMSO and acetonitrile. It exhibits moderate reactivity in nucleophilic substitution reactions and is stable under normal conditions but requires handling in a fume hood to avoid inhalation exposure.

How is Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate (CAS: 1346702-52-0) typically synthesized?

Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate can be synthesized through the reaction of 1-isopropyl-1H-indazole-4-carboxylic acid with bromine in the presence of a base such as sodium hydride. The key steps involve the bromination of the free carboxylic acid group to form the corresponding bromide, followed by its esterification with methyl alcohol. The reaction yields a high purity product with good selectivity and excellent yield.

What industries use Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate (CAS: 1346702-52-0)?

Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate is primarily used in the pharmaceutical industry for the synthesis of various indazole derivatives with potential medicinal applications. It is also explored in the chemical sensor industry for its reactivity and stability. Additionally, it may have applications in the development of organic semiconductors and as a precursor in polymer chemistry.

What precautions should be taken when handling Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate (CAS: 1346702-52-0)?

When handling Methyl 6-bromo-1-isopropyl-1H-indazole-4-carboxylate, it is essential to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation exposure. Spills should be handled using appropriate absorbents and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency response procedures.