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rac-tert-butyl (2R,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylate

CAS 2394776-89-5Formula C12H22BrNO2MW 292.21PubChem 167739859

rac-tert-butyl (2R,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylate is a chiral piperidine derivative featuring a bromomethyl group and a tert-butyl carbamate protecting group. It serves as a functionalized intermediate in organic synthesis, particularly for constructing complex molecules in research applications.

Loading RDKit molecule structure...
InChIKey: RHJTZNZUGPXPJP-NXEZZACHSA-NC12H22BrNO2 | MW 292.21

Chemical Identity

Molecular Formula

C12H22BrNO2

Molecular Weight

292.21 g/mol

Exact Mass

291.08339

PubChem CID

167739859

IUPAC Name

tert-butyl (2R,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylate

SMILES String

C[C@@H]1C[C@H](CBr)CCN1C(=O)OC(C)(C)C

Names & Synonyms

892-550-0RHJTZNZUGPXPJP-NXEZZACHSA-N
External Identifiers
RefChem:874786EN300-43346752

Catalog Overview

rac-tert-butyl (2R,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylate, identified by CAS 2394776-89-5, is a chiral organic compound featuring a piperidine ring. It contains a bromomethyl group at the 4-position and a methyl group at the 2-position, both with specific (2R,4R) stereochemistry, and is protected by a tert-butyl carbamate (Boc) group on the nitrogen. This structure makes it a valuable functionalized intermediate in organic synthesis, particularly for building complex molecules in medicinal chemistry and materials science research. The bromomethyl moiety offers a reactive site for various synthetic transformations,...

Use Context

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

rac-tert-butyl (2R,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylate, identified by CAS 2394776-89-5, is a chiral organic compound featuring a piperidine ring. It contains a bromomethyl group at the 4-position and a methyl group at the 2-position, both with specific (2R,4R) stereochemistry, and is protected by a tert-butyl carbamate (Boc) group on the nitrogen. This structure makes it a valuable functionalized intermediate in organic synthesis, particularly for building complex molecules in medicinal chemistry and materials science research. The bromomethyl moiety offers a reactive site for various synthetic transformations, while the Boc group provides a cleavable protecting strategy.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

36.4 °C

Boiling Point

306.9 °C

Density

1.22 g/cm³

Water Solubility

1.12 × 10⁻³ mol/L

Flash Point

135.3 °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 chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure adequate ventilation or use a fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of exposure, rinse affected areas thoroughly with water and seek medical attention if irritation persists. Store in a cool, dry, and well-ventilated area, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is intended for research use only.

Related Products / Graph Discovery

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

Similar products (text references)

3048998-13-3CAS 3048998-13-3
Tert-butyl 4-(bromomethyl)-4-methylpiperidine-1-carboxylateCAS 1363383-33-8
Tert-butyl 4-(bromomethyl)-3-methylpiperidine-1-carboxylateCAS 2229639-79-4
Tert-butyl 3-(bromomethyl)-5-methylpiperidine-1-carboxylateCAS 1934683-34-7
4357-60-2CAS 4357-60-2

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29333990GHS Pictograms: GHS06, GHS07Shipment review: Shipment details require review before fulfillment.

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