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tert-Butyl (2-bromoethyl)(prop-2-yn-1-yl)carbamate

CAS 2142567-32-4Formula C10H16BrNO2MW 262.14PubChem 134828535

tert-Butyl (2-bromoethyl)(prop-2-yn-1-yl)carbamate is a functionalized organic compound featuring a tert-butyl carbamate protecting group, a bromoethyl moiety, and a propargyl group. This versatile building block is primarily intended for research and development applications in organic synthesis, especially as an intermediate for creating more complex molecules through reactions like click chemistry or alkylation.

Loading RDKit molecule structure...
InChIKey: KHYKZLLEIJPZQN-UHFFFAOYSA-NC10H16BrNO2 | MW 262.14

Chemical Identity

Molecular Formula

C10H16BrNO2

Molecular Weight

262.14 g/mol

Exact Mass

261.03644

PubChem CID

134828535

IUPAC Name

tert-butyl N-(2-bromoethyl)-N-prop-2-ynylcarbamate

SMILES String

C#CCN(CCBr)C(=O)OC(C)(C)C

Names & Synonyms

D73795tert-butyl N-(2-bromoethyl)-N-prop-2-ynyl-carbamatetert-butyl N-(2-bromoethyl)-N-(prop-2-yn-1-yl)carbamate
External Identifiers
CS-0069226

Catalog Overview

tert-Butyl (2-bromoethyl)(prop-2-yn-1-yl)carbamate, with CAS number 2142567-32-4 and molecular formula C10H16BrNO2, is a valuable chemical intermediate for research purposes. It incorporates three key reactive functionalities: a tert-butyl carbamate (Boc) group for amine protection, a bromoethyl group serving as an electrophile for alkylation reactions, and a terminal alkyne (propargyl) group, which is highly amenable to 'click chemistry' reactions such as copper-catalyzed azide-alkyne cycloaddition (CuAAC). Researchers can utilize this compound in multi-step synthetic routes to introduce protected amines, alkyl chains, and alkyne...

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Read more catalog context

tert-Butyl (2-bromoethyl)(prop-2-yn-1-yl)carbamate, with CAS number 2142567-32-4 and molecular formula C10H16BrNO2, is a valuable chemical intermediate for research purposes. It incorporates three key reactive functionalities: a tert-butyl carbamate (Boc) group for amine protection, a bromoethyl group serving as an electrophile for alkylation reactions, and a terminal alkyne (propargyl) group, which is highly amenable to 'click chemistry' reactions such as copper-catalyzed azide-alkyne cycloaddition (CuAAC). Researchers can utilize this compound in multi-step synthetic routes to introduce protected amines, alkyl chains, and alkyne handles into target molecules, facilitating the construction of diverse chemical structures for drug discovery, materials science, and chemical biology studies. Its precise structure allows for controlled functionalization and diversification in complex synthetic pathways.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless to pale yellow liquid

Physical State

Liquid

Melting Point

10.0 °C

Boiling Point

260.0 °C

Density

1.3 g/cm³

Water Solubility

Sparingly soluble

Flash Point

120.0 °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 (2-bromoethyl)(prop-2-yn-1-yl)carbamate in a well-ventilated fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, wash thoroughly with soap and water. Consult the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures before use. Store in a cool, dry place, away from incompatible materials.

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