4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol | CAS No. 779331-49-6

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Basic Information

CAS Number

779331-49-6

Molecular Formula

C12H16BFO3

Molecular Weight

238.07 g/mol

AD

Basic Physical Properties

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)O

InChI

InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7,15H,1-4H3

InChIKey

QZZFCSYBTMZNTR-UHFFFAOYSA-N

LogP

1.8304999999999998

Topological Polar Surface Area

38.69 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

280

Synonyms & References

English

  • EN300-7367858
  • MB15458
  • 5-Fluoro-2-hydroxyphenylboronic acid pinacol ester
  • MFCD16994352
  • FS-5259
  • 4-Fluorophenol-2-boronic acid pinacol ester
  • 5-Fluoro-2-hydroxyphenylboronic acid,pinacol ester
  • A865118
  • Z2044798668
  • AKOS015999541
  • QZZFCSYBTMZNTR-UHFFFAOYSA-N
  • 5-Fluoro-2-hydroxyphenylboronic acid, pinacol ester
  • 4-FLUORO-2-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
  • SCHEMBL1095116
  • 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
  • DTXSID70718241
  • CS-0101373
  • 779331-49-6

MDL Number

MFCD16994352

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 779331-49-6)?

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is a white to off-white solid with a melting point of 108-110°C. Its molecular weight is approximately 319.2 g/mol. It is slightly soluble in water but soluble in polar organic solvents. Chemically, it is stable but can react with strong acids and bases. It is used in organic synthesis as a boron-fluorine-containing compound.

How is 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 779331-49-6) typically synthesized?

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol can be synthesized via a reaction of 4-fluoro-2-hydroxybenzene with 1,3-bis(diphenylphosphino)propane and palladium(II) acetate in the presence of triphenylphosphine. The yield is typically around 85%, and the reaction is highly selective.

What industries use 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 779331-49-6)?

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is primarily used in the pharmaceutical industry for the synthesis of biologically active compounds. It is also utilized in the polymer industry for the preparation of functionalized polymers, and in the sensing and semiconductor industries for the development of advanced materials.

What precautions should be taken when handling 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 779331-49-6)?

When handling 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the use of a fume hood during synthesis and storage. In case of spill, use appropriate spill cleanup kits. Refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.

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