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Carbamic acid, N-(2-bromo-1,1-dimethylethyl)-, 1,1-dimethylethyl ester

CAS 1391026-60-0Formula C9H18BrNO2MW 252.15PubChem 74788455

This compound is a bromo-substituted tert-butyl carbamate, commonly employed as a protected amine intermediate in organic synthesis. Its structure features a Boc-protected amine and a reactive bromine atom, making it valuable for various synthetic transformations in research.

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

Chemical Identity

Molecular Formula

C9H18BrNO2

Molecular Weight

252.15 g/mol

Exact Mass

251.05209

PubChem CID

74788455

IUPAC Name

tert-butyl N-(1-bromo-2-methylpropan-2-yl)carbamate

SMILES String

CC(C)(CBr)NC(=O)OC(C)(C)C

Names & Synonyms

N-Boc-1-bromo-2-methyl-2-propanaminetert-butyl (1-bromo-2-methylpropan-2-yl)carbamateCLUAOIWMMSXCAI-UHFFFAOYSA-NF612638tert-butyl N-(2-bromo-1,1-dimethyl-ethyl)carbamate
External Identifiers
RefChem:332636MFCD24166837SCHEMBL25247785DTXSID801155355DA-45416CS-0111765EN300-4331681

Catalog Overview

Carbamic acid, N-(2-bromo-1,1-dimethylethyl)-, 1,1-dimethylethyl ester, also known as tert-butyl N-(1-bromo-2-methylpropan-2-yl)carbamate, is an organic compound with the chemical formula C9H18BrNO2 and a molecular weight of 252. 15 g/mol. This compound features a tert-butyl carbamate (Boc) protecting group on an amine and a reactive bromine atom on an adjacent carbon. This bifunctional structure makes it a versatile building block in synthetic chemistry, particularly for introducing protected amine functionalities and serving as a substrate for further reactions at the bromo-substituted site.

Use Context

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

Carbamic acid, N-(2-bromo-1,1-dimethylethyl)-, 1,1-dimethylethyl ester, also known as tert-butyl N-(1-bromo-2-methylpropan-2-yl)carbamate, is an organic compound with the chemical formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. This compound features a tert-butyl carbamate (Boc) protecting group on an amine and a reactive bromine atom on an adjacent carbon. This bifunctional structure makes it a versatile building block in synthetic chemistry, particularly for introducing protected amine functionalities and serving as a substrate for further reactions at the bromo-substituted site. It is classified as a functionalized intermediate, valuable for constructing more complex molecular architectures in research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

80.0 °C

Boiling Point

232.0 °C

Density

1.21 g/cm³

Water Solubility

2.95 × 10⁻³ mol/L

Flash Point

133.0 °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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a 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. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information.

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