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tert-butyl N-(3-bromobutyl)carbamate

CAS 1504338-47-9Formula C9H18BrNO2MW 252.15PubChem 87799807

tert-butyl N-(3-bromobutyl)carbamate is a Boc-protected bromoamine, serving as a versatile building block in organic synthesis. It allows for the introduction of a protected amine and a reactive bromine functionality, making it useful for creating complex molecules in research settings.

Loading RDKit molecule structure...
InChIKey: SHXAOLXCZAHVAU-UHFFFAOYSA-NC9H18BrNO2 | MW 252.15

Chemical Identity

Molecular Formula

C9H18BrNO2

Molecular Weight

252.15 g/mol

Exact Mass

251.05209

PubChem CID

87799807

SMILES String

CC(Br)CCNC(=O)OC(C)(C)C

Names & Synonyms

839-056-31-(Boc-amino)-3-bromobutanetert-Butyl (3-bromobutyl)carbamate
External Identifiers
RefChem:895938SCHEMBL5242451MFCD24168523EN300-1878564

Catalog Overview

tert-butyl N-(3-bromobutyl)carbamate, identified by CAS 1504338-47-9, is an organic compound featuring a tert-butoxycarbonyl (Boc) protected amine group and a bromine atom on a butyl chain. This bifunctional structure makes it a valuable intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. The Boc group provides temporary protection for the amine, allowing selective reactions at the bromine site, while the bromine can serve as a leaving group for nucleophilic substitution or as a precursor for Grignard reagents or other organometallic species. It is intended for...

Use Context

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

tert-butyl N-(3-bromobutyl)carbamate, identified by CAS 1504338-47-9, is an organic compound featuring a tert-butoxycarbonyl (Boc) protected amine group and a bromine atom on a butyl chain. This bifunctional structure makes it a valuable intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. The Boc group provides temporary protection for the amine, allowing selective reactions at the bromine site, while the bromine can serve as a leaving group for nucleophilic substitution or as a precursor for Grignard reagents or other organometallic species. It is intended for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

29.8 °C

Boiling Point

260.6 °C

Density

1.22 g/cm³

Water Solubility

3.65 × 10⁻³ mol/L

Flash Point

126.0 °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 tert-butyl N-(3-bromobutyl)carbamate with appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use in a well-ventilated area or a fume hood to prevent inhalation of vapors. Avoid direct contact with skin and eyes. In case of exposure, rinse affected areas immediately with plenty of water and seek medical attention if irritation persists. Store the compound in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive hazard information and safe handling procedures before use.

Related Products / Graph Discovery

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

Similar products (text references)

(3-Bromo-1-methylpropyl)carbamic acid tert-butyl esterCAS 128412-15-7
tert-butyl N-(3-bromopropyl)-N-methylcarbamateCAS 828272-19-1
tert-butyl N-(1-bromobutan-2-yl)carbamateCAS 121102-97-4
tert-butyl N-(3-bromo-2-methylpropyl)carbamateCAS 1510268-47-9
tert-butyl N-[(2S)-4-bromobutan-2-yl]carbamateCAS 106622-20-2

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29242990GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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