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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.
Related products and analog discovery will be available as catalog graph data is expanded.