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

CAS 1888460-27-2Formula C13H17BF3NO2MW 287.09PubChem 119081463

This compound is a pyridine derivative featuring a trifluoromethyl group and a pinacol boronate ester. It is primarily used as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions to form new carbon-carbon bonds. Its functional groups make it valuable for introducing both trifluoromethylated pyridine and boronic acid functionalities into complex molecules. For research use only.

Loading RDKit molecule structure...
InChIKey: QKVFYHQBUSWQHS-UHFFFAOYSA-NC13H17BF3NO2 | MW 287.09

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

119081463

SMILES String

Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F

Names & Synonyms

Pyridine, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-QKVFYHQBUSWQHS-UHFFFAOYSA-N
External Identifiers
SCHEMBL17609622DTXSID801128906CS-31961CS-0369358

Catalog Overview

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine, identified by CAS 1888460-27-2, is a sophisticated organic compound designed for research and development applications. It incorporates a pyridine core substituted with a methyl group, a trifluoromethyl group, and a pinacol boronate ester. The trifluoromethyl group imparts unique electronic properties, while the boronate ester serves as a highly reactive and versatile handle for various synthetic transformations. This compound's structure makes it an excellent precursor for synthesizing novel pharmaceutical intermediates, agrochemicals, and...

Use Context

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

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine, identified by CAS 1888460-27-2, is a sophisticated organic compound designed for research and development applications. It incorporates a pyridine core substituted with a methyl group, a trifluoromethyl group, and a pinacol boronate ester. The trifluoromethyl group imparts unique electronic properties, while the boronate ester serves as a highly reactive and versatile handle for various synthetic transformations. This compound's structure makes it an excellent precursor for synthesizing novel pharmaceutical intermediates, agrochemicals, and materials science compounds, especially where precise control over regioselectivity and electronic characteristics is required. Its utility is particularly pronounced in palladium-catalyzed cross-coupling reactions, enabling the construction of complex molecular architectures. For research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

123.0 °C

Boiling Point

264.0 °C

Density

1.3 g/cm³

Water Solubility

1.32 × 10⁻⁴ mol/L

Flash Point

211.2 °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 (PPE) 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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

Related Products / Graph Discovery

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

Similar products (text references)

3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridineCAS 2121511-95-1
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridineCAS 917969-86-9
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)anilineCAS 1058062-64-8
2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridineCAS 1356579-72-0
4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridineCAS 1612287-99-6

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29333990GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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