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tert-Butyl 6-(3-bromo-4-iodo-5-methyl-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate

CAS 2653202-14-1Formula C15H21BrIN3O2MW 482.15PubChem 164900397

A complex, halogenated pyrazole derivative featuring a spirocyclic azaspiro[3.3]heptane core, primarily intended for advanced synthetic chemistry and medicinal chemistry research.

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

Chemical Identity

Molecular Formula

C15H21BrIN3O2

Molecular Weight

482.15 g/mol

Exact Mass

480.98619

PubChem CID

164900397

IUPAC Name

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

SMILES String

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

Names & Synonyms

YQF2040G75534F996802
External Identifiers
SCHEMBL25893266DB-405634

Catalog Overview

tert-Butyl 6-(3-bromo-4-iodo-5-methyl-1H-pyrazol-1-yl)-2-azaspiro[3. 3]heptane-2-carboxylate is a sophisticated organic compound characterized by a highly substituted pyrazole ring (containing bromine, iodine, and a methyl group) linked to a 2-azaspiro[3. 3]heptane system. The 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-(3-bromo-4-iodo-5-methyl-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate is a sophisticated organic compound characterized by a highly substituted pyrazole ring (containing bromine, iodine, and a methyl group) linked to a 2-azaspiro[3.3]heptane system. The azaspiro[3.3]heptane nitrogen is protected by a tert-butyl carbamate (Boc) group. With a molecular formula of C15H21BrIN3O2 and a molecular weight of 482.15, this compound is a valuable building block in the synthesis of novel chemical entities. Its unique structural features, including multiple halogen atoms and a spirocyclic system, make it particularly interesting for researchers exploring structure-activity relationships in drug discovery, as well as for the development of advanced synthetic methodologies. It is supplied for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

120.0 °C

Boiling Point

400.0 °C

Density

1.7 g/cm³

Water Solubility

Insoluble

Flash Point

250.0 °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 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 safe handling procedures. This product is for Research Use Only and not for human or animal therapeutic or diagnostic 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.