2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate

Basic Information

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CAS Number

129822-45-3

Molecular Formula

C13H14FNO2

Molecular Weight

235.26 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Fc1cccc2c1ccn2C(=O)OC(C)(C)C

InChI

InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3

InChIKey

HWVFAXLKBJQDMB-UHFFFAOYSA-N

LogP

3.563600000000002

Topological Polar Surface Area

31.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

4-Fluoro-N-(BOC)-indole (Related Reference)
4-Fluoro-N-(Boc)indole
4-Fluoro-N-(BOC)-indole
tert-butyl 4-fluoro-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid,4-fluoro-,1,1-dimethylethyl ester
4-fluoroindole-1-carboxylic acid tert-butyl ester
Y7379
1H-Indole-1-carboxylic acid

MDL Number

MFCD18782887

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate (CAS: 129822-45-3)?

The compound 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate (CAS: 129822-45-3) should comply with the GHS classification system regarding its physical and health hazards. Additionally, it must adhere to REACH regulations for the registration of substances, particularly if used in the European Union. In the United States, FDA and EPA regulations may also apply depending on its intended use, such as in pharmaceuticals or agrochemicals.

Are there alternatives to 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate in synthesis?

In synthesis, several alternatives to 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate (CAS: 129822-45-3) can be considered, such as 2-Methyl-2-propanol and 4-fluoro-1H-indole. Other possible substitutes include related indoles or fluorinated compounds that can serve similar functional roles in organic synthesis, depending on the specific application.

What is the market or research trend for 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate (CAS: 129822-45-3)?

The market for 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate (CAS: 129822-45-3) is growing with increasing interest in its potential use in pharmaceuticals and agrochemicals due to its unique chemical properties. Research trends are focusing on its application in medicinal chemistry and as an intermediate in biologically active compound synthesis. The compound's stability and reactivity are key areas of study.

How should waste containing 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate (CAS: 129822-45-3) be handled?

Waste containing 2-Methyl-2-propanyl 4-fluoro-1H-indole-1-carboxylate (CAS: 129822-45-3) should be collected in suitable containers and stored according to local regulations. Proper disposal methods include incineration or professional waste disposal services. Environmental protection precautions must be taken to prevent contamination of soil and water. Disposal should be carried out by trained personnel to ensure safety and compliance with environmental regulations.