Chemical Identity
Molecular Formula
C13H17BF3NO2
Molecular Weight
287.09 g/mol
Exact Mass
287.130443
PubChem CID
69461876
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline
SMILES String
CC1(C)OB(c2cc(N)ccc2C(F)(F)F)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
This compound, with CAS 882679-08-5, is a key chemical intermediate characterized by the presence of an amino group, a trifluoromethyl substituent, and a pinacol boronic ester moiety on a benzene ring. The trifluoromethyl group often enhances lipophilicity and metabolic stability in target molecules, while the pinacol boronic ester is a highly reactive and widely utilized functional group for carbon-carbon bond formation, particularly in Suzuki-Miyaura cross-coupling reactions. The aniline functionality provides a site for further derivatization. This combination of functional groups makes it valuable for synthesizing complex...
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Read more catalog context
This compound, with CAS 882679-08-5, is a key chemical intermediate characterized by the presence of an amino group, a trifluoromethyl substituent, and a pinacol boronic ester moiety on a benzene ring. The trifluoromethyl group often enhances lipophilicity and metabolic stability in target molecules, while the pinacol boronic ester is a highly reactive and widely utilized functional group for carbon-carbon bond formation, particularly in Suzuki-Miyaura cross-coupling reactions. The aniline functionality provides a site for further derivatization. This combination of functional groups makes it valuable for synthesizing complex organic molecules, especially those with fluorinated aromatic systems, for research purposes.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
145.0 °C
Boiling Point
294.0 °C
Density
1.4 g/cm³
Water Solubility
4.79 × 10⁻⁴ mol/L
Flash Point
175.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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. Work in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information and proper disposal procedures.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.