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Tert-butyl (6-bromohexyl)(methyl)carbamate

CAS 2098982-76-2Formula C12H24BrNO2MW 294.23PubChem 129175940

Tert-butyl (6-bromohexyl)(methyl)carbamate is a functionalized intermediate with a bromohexyl chain and a protected methylcarbamate group. It is primarily used in organic synthesis as a building block for creating more complex molecules, particularly in pharmaceutical and agrochemical research.

Loading RDKit molecule structure...
InChIKey: AMQDKCDPOBKRDW-UHFFFAOYSA-NC12H24BrNO2 | MW 294.23

Chemical Identity

Molecular Formula

C12H24BrNO2

Molecular Weight

294.23 g/mol

Exact Mass

293.09904

PubChem CID

129175940

IUPAC Name

tert-butyl N-(6-bromohexyl)-N-methylcarbamate

SMILES String

CN(CCCCCCBr)C(=O)OC(C)(C)C

Names & Synonyms

t-Butyl (6-bromohexyl)(methyl)carbamatetert-butyl N-(6-bromohexyl)-N-methyl-carbamateF836480
External Identifiers
SCHEMBL18906908MFCD32861372AT11154DB-173468

Catalog Overview

Tert-butyl N-(6-bromohexyl)-N-methylcarbamate, identified by CAS 2098982-76-2, is an organic compound featuring a tert-butyl carbamate protecting group on a methylamino moiety, attached to a 6-bromohexyl chain. This structure makes it a versatile intermediate in synthetic chemistry. The bromohexyl group provides a reactive site for various coupling reactions, nucleophilic substitutions, or further functionalization, while the Boc-protected methylamine allows for selective manipulation of other parts of the molecule before deprotection. Its molecular formula is C12H24BrNO2 and its molecular weight is 294.

Use Context

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Read more catalog context

Tert-butyl N-(6-bromohexyl)-N-methylcarbamate, identified by CAS 2098982-76-2, is an organic compound featuring a tert-butyl carbamate protecting group on a methylamino moiety, attached to a 6-bromohexyl chain. This structure makes it a versatile intermediate in synthetic chemistry. The bromohexyl group provides a reactive site for various coupling reactions, nucleophilic substitutions, or further functionalization, while the Boc-protected methylamine allows for selective manipulation of other parts of the molecule before deprotection. Its molecular formula is C12H24BrNO2 and its molecular weight is 294.23 g/mol. It is suitable for research and development applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

8.0 °C

Boiling Point

300.0 °C

Density

1.2 g/cm³

Water Solubility

Insoluble

Flash Point

160.0 °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 in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, wash thoroughly with soap and water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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