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3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

CAS 1084953-47-8Formula C12H15BF3NO2MW 273.06PubChem 53397904

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine is a pyridine derivative featuring both a trifluoromethyl group and a pinacol boronate ester. This compound serves as a versatile building block in organic synthesis, particularly for cross-coupling reactions.

Loading RDKit molecule structure...
InChIKey: LFZDWNHGQKQVIG-UHFFFAOYSA-NC12H15BF3NO2 | MW 273.06

Chemical Identity

Molecular Formula

C12H15BF3NO2

Molecular Weight

273.06 g/mol

Exact Mass

273.114793

PubChem CID

53397904

IUPAC Name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

SMILES String

CC1(C)OB(c2cncc(C(F)(F)F)c2)OC1(C)C

Names & Synonyms

860-111-25-TRIFLUOROMETHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester(5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTERCS-W005560
Show all synonyms
F241800Z20373201035-(Trifluoromethyl)pyridine-3-boronic acid, pinacol ester3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-pyridine
External Identifiers
RefChem:496224MFCD12198142SCHEMBL1085545DTXSID40694386AKOS015950213DS-4110PB28383SY042273DB-059761EN300-218527

Catalog Overview

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine, with CAS 1084953-47-8, is a sophisticated pyridine-based chemical intermediate. It incorporates a trifluoromethyl group, known for its electron-withdrawing properties, and a pinacol boronate ester, a highly reactive and stable boron-containing moiety. This combination makes it an excellent reagent for Suzuki-Miyaura cross-coupling reactions, enabling the introduction of a 5-(trifluoromethyl)pyridin-3-yl unit into various organic scaffolds. Its precise structure, C12H15BF3NO2, and molecular weight of 273.06 g/mol, confirm its utility in advanced synthetic chemistry.

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Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

86.0 °C

Boiling Point

242.0 °C

Density

1.25 g/cm³

Water Solubility

9.33 × 10⁻⁴ mol/L

Flash Point

95.0 °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 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine 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. Consult the Safety Data Sheet (SDS) for detailed hazard information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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