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methyl 6-bromo-1-(prop-2-yn-1-yl)-1H-indole-4-carboxylate

CAS 2870681-62-0Formula C13H10BrNO2MW 292.13PubChem 165992752

A bromo-substituted indole-4-carboxylate derivative featuring a propargyl group, primarily for research applications in organic synthesis and medicinal chemistry.

Loading RDKit molecule structure...
InChIKey: IOCBNZDRKHCDIH-UHFFFAOYSA-NC13H10BrNO2 | MW 292.13

Chemical Identity

Molecular Formula

C13H10BrNO2

Molecular Weight

292.13 g/mol

Exact Mass

290.98949

PubChem CID

165992752

IUPAC Name

methyl 6-bromo-1-prop-2-ynylindole-4-carboxylate

SMILES String

C#CCn1ccc2c(C(=O)OC)cc(Br)cc21

External Identifiers
EN300-39883089

Catalog Overview

Methyl 6-bromo-1-(prop-2-yn-1-yl)-1H-indole-4-carboxylate is an organic compound characterized by an indole core substituted with a bromine atom at position 6, a propargyl group attached to the indole nitrogen at position 1, and a methyl carboxylate group at position 4. With a molecular formula of C13H10BrNO2 and a molecular weight of 292.13, this compound is of interest in synthetic organic chemistry, particularly for the construction of more complex indole-based structures. The propargyl group offers a reactive handle for "click chemistry" or other alkyne-based transformations, while the bromo substituent provides a site for...

Use Context

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Read more catalog context

Methyl 6-bromo-1-(prop-2-yn-1-yl)-1H-indole-4-carboxylate is an organic compound characterized by an indole core substituted with a bromine atom at position 6, a propargyl group attached to the indole nitrogen at position 1, and a methyl carboxylate group at position 4. With a molecular formula of C13H10BrNO2 and a molecular weight of 292.13, this compound is of interest in synthetic organic chemistry, particularly for the construction of more complex indole-based structures. The propargyl group offers a reactive handle for "click chemistry" or other alkyne-based transformations, while the bromo substituent provides a site for cross-coupling reactions. Its indole scaffold is a common motif in biologically active molecules, making it a potential building block for drug discovery and development research. This compound is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline solid

Physical State

Solid

Melting Point

130.0 °C

Boiling Point

370.0 °C

Density

1.5 g/cm³

Water Solubility

Insoluble

Flash Point

195.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and precautions before use.

Related Products / Graph Discovery

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