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4-Chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)aniline

CAS 1995072-92-8Formula C13H16BClF3NO2MW 321.53PubChem 75486257

This compound is a complex organic intermediate featuring an aniline moiety, a chlorine atom, a trifluoromethyl group, and a pinacol boronate ester. It is primarily used in synthetic organic chemistry as a versatile building block.

Loading RDKit molecule structure...
InChIKey: YUKPGABOOMMCFW-UHFFFAOYSA-NC13H16BClF3NO2 | MW 321.53

Chemical Identity

Molecular Formula

C13H16BClF3NO2

Molecular Weight

321.53 g/mol

Exact Mass

321.091471

PubChem CID

75486257

IUPAC Name

4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)aniline

SMILES String

CC1(C)OB(c2cc(Cl)cc(C(F)(F)F)c2N)OC1(C)C

Names & Synonyms

YUKPGABOOMMCFW-UHFFFAOYSA-N
External Identifiers
SCHEMBL18007640CS-0177449

Catalog Overview

4-Chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)aniline is a sophisticated chemical building block with the molecular formula C13H16BClF3NO2. It incorporates a chloro substituent, a trifluoromethyl group, and a pinacol boronate ester on an aniline core. This combination of functional groups makes it a versatile reagent, particularly valuable in cross-coupling reactions like the Suzuki-Miyaura coupling, where the boronate ester can react with aryl halides or triflates to form new carbon-carbon bonds. The presence of the aniline group also allows for further derivatization, making it suitable for synthesizing...

Use Context

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

4-Chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)aniline is a sophisticated chemical building block with the molecular formula C13H16BClF3NO2. It incorporates a chloro substituent, a trifluoromethyl group, and a pinacol boronate ester on an aniline core. This combination of functional groups makes it a versatile reagent, particularly valuable in cross-coupling reactions like the Suzuki-Miyaura coupling, where the boronate ester can react with aryl halides or triflates to form new carbon-carbon bonds. The presence of the aniline group also allows for further derivatization, making it suitable for synthesizing complex organic molecules in pharmaceutical and agrochemical research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

110.0 °C

Boiling Point

300.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

170.0 °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 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. Consult the Safety Data Sheet (SDS) for detailed hazard information and handling procedures.

Related Products / Graph Discovery

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

Similar products (text references)

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-4-(trifluoromethyl)anilineCAS 2803281-62-9
685847-78-3CAS 685847-78-3
2815776-01-1CAS 2815776-01-1
1003575-37-8CAS 1003575-37-8
870822-81-4CAS 870822-81-4

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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