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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.

Related Products / Graph Discovery

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

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292419GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.