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tert-butyl N-(5,5,5-trifluoropent-1-yn-3-yl)carbamate

CAS 1301229-61-7Formula C10H14F3NO2MW 237.22PubChem 88945856

tert-butyl N-(5,5,5-trifluoropent-1-yn-3-yl)carbamate is a trifluoromethylated alkyne derivative featuring a tert-butyl carbamate protecting group. This functionalized intermediate is valuable in organic synthesis for introducing both trifluoromethyl and alkyne moieties into target molecules, often utilized in medicinal chemistry and materials science research.

Loading RDKit molecule structure...
InChIKey: BPDNIYHONMOAKF-UHFFFAOYSA-NC10H14F3NO2 | MW 237.22

Chemical Identity

Molecular Formula

C10H14F3NO2

Molecular Weight

237.22 g/mol

Exact Mass

237.097663

PubChem CID

88945856

SMILES String

C#CC(CC(F)(F)F)NC(=O)OC(C)(C)C

Names & Synonyms

TERT-BUTYL (5,5,5-TRIFLUOROPENT-1-YN-3-YL)CARBAMATEBPDNIYHONMOAKF-UHFFFAOYSA-NF1913-8241
External Identifiers
SCHEMBL12671828AKOS040766039AT41004

Catalog Overview

tert-butyl N-(5,5,5-trifluoropent-1-yn-3-yl)carbamate, with CAS 1301229-61-7 and molecular formula C10H14F3NO2, is a synthetic organic compound classified as a functionalized intermediate. It incorporates a terminal alkyne, a trifluoromethyl group, and a tert-butyl carbamate (Boc) protecting group on a nitrogen atom. The trifluoromethyl group is known to impart unique physicochemical properties, such as increased lipophilicity and metabolic stability, to molecules. The terminal alkyne provides a versatile handle for various click chemistry reactions (e.

Use Context

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

tert-butyl N-(5,5,5-trifluoropent-1-yn-3-yl)carbamate, with CAS 1301229-61-7 and molecular formula C10H14F3NO2, is a synthetic organic compound classified as a functionalized intermediate. It incorporates a terminal alkyne, a trifluoromethyl group, and a tert-butyl carbamate (Boc) protecting group on a nitrogen atom. The trifluoromethyl group is known to impart unique physicochemical properties, such as increased lipophilicity and metabolic stability, to molecules. The terminal alkyne provides a versatile handle for various click chemistry reactions (e.g., copper-catalyzed azide-alkyne cycloaddition) or other alkyne-based transformations. The Boc group serves as a common protecting group for amines, which can be selectively removed under acidic conditions to reveal a primary amine. This combination of functionalities makes it a useful building block for the synthesis of complex organic molecules, particularly in drug discovery and development, as well as in the creation of novel materials.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

5.0 °C

Boiling Point

220.0 °C

Density

1.25 g/cm³

Water Solubility

Slightly soluble

Flash Point

100.0 °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-(5,5,5-trifluoropent-1-yn-3-yl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

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

Similar products (text references)

tert-butyl N-(1,1,1-trifluoropent-4-yn-2-yl)carbamateCAS 2703780-46-3
2160148-10-5CAS 2160148-10-5
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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.