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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

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
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

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

313241-16-6CAS 313241-16-6
13278-38-1CAS 13278-38-1
1386456-63-8CAS 1386456-63-8

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293399Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.