[1-(Methoxycarbonyl)-1H-indol-2-yl]boronic acid

Basic Information

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CAS Number

1001162-89-5

Molecular Formula

C10H10BNO4

Molecular Weight

219.01 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

Basic Physical Properties

SMILES

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COC(=O)n1c(cc2c1cccc2)B(O)O

InChI

InChI=1S/C10H10BNO4/c1-16-10(13)12-8-5-3-2-4-7(8)6-9(12)11(14)15/h2-6,14-15H,1H3

InChIKey

BYSPSIQMPUCCRP-UHFFFAOYSA-N

LogP

-0.06440000000000012

Topological Polar Surface Area

71.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Synonyms & References

English

(1-(Methoxycarbonyl)-1H-indol-2-yl)boronic acid
(1-methoxycarbonylindol-2-yl)boronic acid
1-(Methoxycarbonyl)-1H-indol-2-ylboronic acid
1-(N-Methoxycarbonyl)indole-2-boronic acid
2-Borono-1H-indol-1-carboxylic acid 1-Methyl ester
1H-Indole-1-carboxylic acid, 2-borono-, 1-Methyl ester

MDL Number

MFCD22123264

FAQ

What regulatory guidelines apply to [1-(Methoxycarbonyl)-1H-indol-2-yl]boronic acid (CAS: 1001162-89-5)?

This compound falls under the scope of the REACH regulation in the European Union, which requires registration if produced or imported in quantities of one tonne or more per year. Additionally, it should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for physical and health hazards. For use in the US, FDA and EPA regulations also apply, ensuring proper labeling and handling to protect human health and the environment.

Are there alternatives to [1-(Methoxycarbonyl)-1H-indol-2-yl]boronic acid (CAS: 1001162-89-5) in synthesis?

Several alternatives can be used in synthesis, such as 2-bromomethylindole and other boronic acids with similar functionality. These alternatives can offer synthetic flexibility and may have advantages in terms of reactivity and availability. However, the choice depends on the specific requirements of the reaction and the desired product.

What is the market or research trend for [1-(Methoxycarbonyl)-1H-indol-2-yl]boronic acid (CAS: 1001162-89-5)?

The compound is gaining interest in pharmaceutical and chemical research due to its potential as a building block for natural product synthesis and medicinal chemistry. Recent research trends indicate increasing demand for compounds that can be used in drug discovery and development, particularly those with unique structural features. Market analysis suggests steady growth, driven by its utility in organic synthesis and its role in the synthesis of complex molecules.

How should waste containing [1-(Methoxycarbonyl)-1H-indol-2-yl]boronic acid (CAS: 1001162-89-5) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for waste disposal, but it must be conducted in a controlled environment to minimize environmental impact. Environmental protection precautions include ensuring that waste is not released into the soil, water, or air without proper treatment. It is essential to follow local regulations and guidelines for hazardous waste management to ensure compliance with environmental standards.