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4,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane,97%(stabilized with TBC)

  • CAS No. 1011460-68-6

  • Cat. No. CS-0086459
  • Purity97%(stabilized with TBC)
  • MDL No.MFCD08669623

*For research and further manufacturing use only, not for direct human use.

4,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane,97%(stabilized with TBC)|CS-0086459

Structure of 1011460-68-6

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General Information

  • CAS No. 1011460-68-6
  • Cat. No. CS-0086459
  • Purity 97%(stabilized with TBC)
  • MDL No. MFCD08669623
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄BF₃O₂
  • Molecular Weight 222.01
  • Synonym(s) 1-(TRIFLUOROMETHYL)VINYL BORONIC ACID HEXYLENE GLYCOL ESTER
  • SMILES C=C(B1OC(C)CC(C)(C)O1)C(F)(F)F

Description

This boronate moiety features a stabilized 1,3,2-dioxaborinane core with trifluoropropenyl and trimethyl substituents, offering enhanced shelf life and moisture tolerance. Designed for robust coupling reactions, it integrates efficiently into Suzuki-Miyaura transformations under standard conditions.

Application

4,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane, 97% (stabilized with TBC) serves as a stable, bench-ready boronate building block for palladium-catalyzed cross-coupling reactions. Its trifluoropropenyl group imparts enhanced electrophilicity and orthogonal reactivity, enabling efficient Suzuki-Miyaura couplings with aryl and vinyl halides. The dioxaborinane core ensures high functional group tolerance, excellent shelf stability, and straightforward purification, making it ideal for complex molecule synthesis in medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   2.7363
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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