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Tert-butyl 3-ethynyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate

CAS 2748552-19-2Formula C12H16F3NO2MW 263.26PubChem 162342191

Tert-butyl 3-ethynyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate is a research-use only chemical with the formula C12H16F3NO2. It features a pyrrolidine core with ethynyl and trifluoromethyl substituents, and a tert-butyl carbamate group. This compound is primarily used as a synthetic intermediate in medicinal chemistry and drug discovery, particularly for synthesizing complex molecules with 'research-oriented' characteristics.

Loading RDKit molecule structure...
InChIKey: AOOYSSMPUQXVLK-UHFFFAOYSA-NC12H16F3NO2 | MW 263.26

Chemical Identity

Molecular Formula

C12H16F3NO2

Molecular Weight

263.26 g/mol

Exact Mass

263.113313

PubChem CID

162342191

SMILES String

C#CC1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1

Names & Synonyms

987-788-8
External Identifiers
RefChem:893320SCHEMBL24809833AKOS040803767AT27828

Catalog Overview

Tert-butyl 3-ethynyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate is an organic compound with the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. It features a pyrrolidine ring substituted with an ethynyl group and a trifluoromethyl group at the 3-position, along with a tert-butyl carbamate protecting group on the nitrogen. This compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility as a versatile building block or intermediate in medicinal chemistry and drug discovery research. Its specific functional groups allow for diverse synthetic transformations.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

95.0 °C

Boiling Point

290.0 °C

Density

1.25 g/cm³

Water Solubility

insoluble

Flash Point

177.0 °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 3-ethynyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety glasses, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. Ensure proper storage in a cool, dry place away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures prior to use. Dispose of waste in accordance with local regulations.

Related Products / Graph Discovery

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

Similar products (text references)

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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: 293399GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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