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Tert-butyl 6-(4-bromo-3-iodo-5-methylpyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate

CAS 2653202-20-9Formula C15H21BrIN3O2MW 482.15PubChem 156501373

This is a complex, highly functionalized organic compound featuring a spiro[3.3]heptane core, a brominated and iodinated methylpyrazole moiety, and a tert-butyl carbamate protecting group. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: HQCYKJCMEPBCTO-UHFFFAOYSA-NC15H21BrIN3O2 | MW 482.15

Chemical Identity

Molecular Formula

C15H21BrIN3O2

Molecular Weight

482.15 g/mol

Exact Mass

480.98619

PubChem CID

156501373

SMILES String

Cc1c(Br)c(I)nn1C1CC2(C1)CN(C(=O)OC(C)(C)C)C2

Names & Synonyms

1,1-Dimethylethyl 6-(4-bromo-3-iodo-5-methyl-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate
External Identifiers
SCHEMBL23533599DB-374038

Catalog Overview

Tert-butyl 6-(4-bromo-3-iodo-5-methylpyrazol-1-yl)-2-azaspiro[3. 3]heptane-2-carboxylate is a sophisticated organic chemical with the molecular formula C15H21BrIN3O2 and a molecular weight of 482. 15. Its structure incorporates a unique 2-azaspiro[3.

Use Context

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

Tert-butyl 6-(4-bromo-3-iodo-5-methylpyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate is a sophisticated organic chemical with the molecular formula C15H21BrIN3O2 and a molecular weight of 482.15. Its structure incorporates a unique 2-azaspiro[3.3]heptane bicyclic system, a pyrazole ring substituted with bromine, iodine, and a methyl group, and a tert-butyl carbamate (Boc) group protecting the nitrogen on the azaspiroheptane. This intricate molecular architecture suggests its potential utility as a building block in advanced organic synthesis, particularly for creating novel pharmaceutical intermediates or agrochemical candidates. Its halogenated pyrazole and spirocyclic features make it an interesting scaffold for medicinal chemistry research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

150.0 °C

Boiling Point

450.0 °C

Density

1.5 g/cm³

Water Solubility

Insoluble

Flash Point

270.0 °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 (PPE) 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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

Related Products / Graph Discovery

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

Similar products (text references)

303998-52-9CAS 303998-52-9
303998-54-1CAS 303998-54-1
1414378-14-5CAS 1414378-14-5
519006-38-3CAS 519006-38-3

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293399GHS Pictograms: GHS07Shipment 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.