MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

1-(1,1-Dimethylethyl) 2-borono-6-ethyl-5-fluoro-1H-indole-1-carboxylate

CAS 1248585-73-0Formula C15H19BFNO4MW 307.13PubChem 66738840

This compound is a Boc-protected, ethyl- and fluoro-substituted indole-2-boronic acid, serving as a versatile building block in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: SLSOKQMFILENJM-UHFFFAOYSA-NC15H19BFNO4 | MW 307.13

Chemical Identity

Molecular Formula

C15H19BFNO4

Molecular Weight

307.13 g/mol

Exact Mass

307.139116

PubChem CID

66738840

IUPAC Name

[6-ethyl-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

SMILES String

CCc1cc2c(cc1F)cc(B(O)O)n2C(=O)OC(C)(C)C

Names & Synonyms

1-(tert-butoxycarbonyl)-6-ethyl-5-fluoro-1h-indol-2-ylboronic acid{1-[(tert-butoxy)carbonyl]-6-ethyl-5-fluoro-1H-indol-2-yl}boronic acid(1-(tert-butoxycarbonyl)-6-ethyl-5-fluoro-1H-indol-2-yl)boronic acid[1-(tert-Butoxycarbonyl)-6-ethyl-5-fluoro-1H-indol-2-yl]boronic acidC15H19BFNO4
Show all synonyms
D97065{1-Boc-6-ethyl-5-fluoro-1H-indol-2-yl}boronic acid(1-tert-butoxycarbonyl-6-ethyl-5-fluoro-indol-2-yl)boronic acid{1-[(tert-butoxy)carbonyl]-6-ethyl-5-fluoro-1h-indol-2-yl}boronicacid{1-[(TERT-BUTOXY)CARBONYL]-6-ETHYL-5-FLUORO-1H-INDOL-2-YLBORONIC ACID
External Identifiers
RefChem:222239MFCD18427558starbld0042689SCHEMBL597138SCHEMBL29956839DTXSID101151102PS-20313DB-200722CS-0310367

Catalog Overview

1-(1,1-Dimethylethyl) 2-borono-6-ethyl-5-fluoro-1H-indole-1-carboxylate is a complex indole derivative featuring a boronic acid moiety at the 2-position, an ethyl group at the 6-position, a fluorine atom at the 5-position, and a tert-butoxycarbonyl (Boc) protecting group on the indole nitrogen. This structure makes it a valuable functionalized intermediate for advanced organic synthesis, particularly in the construction of diverse indole-containing compounds. Its boronic acid functionality is highly reactive in cross-coupling reactions, while the Boc group offers protection and can be selectively removed.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

178.0 °C

Boiling Point

311.0 °C

Density

1.3 g/cm³

Water Solubility

0.01 mol/L

Flash Point

200.0 °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 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 safety information.

Related Products / Graph Discovery

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

Related products and analog discovery will be available as catalog graph data is expanded.