2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol | CAS No. 627906-52-9

2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol

Basic Information

CAS Number

627906-52-9

Molecular Formula

C13H19BO3

Molecular Weight

234.1 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C13H19BO3/c1-9-8-10(6-7-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3

InChIKey

WWKXCYNPIQEAKJ-UHFFFAOYSA-N

LogP

1.9998199999999997

Topological Polar Surface Area

38.69 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

274

Synonyms & References

English

  • 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
  • AKOS015901697
  • 2-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
  • SCHEMBL822504
  • C16109
  • 627906-52-9
  • DTXSID101178467
  • 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenol
  • 1-Hydroxy-2-methylbenzene-4-boronic Acid Pinacol Ester
  • DA-25892
  • WWKXCYNPIQEAKJ-UHFFFAOYSA-N
  • 2-METHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
  • CS-0089467
  • PHENOL, 2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
  • BS-29215
  • 2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
  • 4-Hydroxy-3-methylbenzeneboronic acid pinacol ester
  • MFCD16994279
  • 4-Hydroxy-3-methylphenylboronic Acid Pinacol Ester
  • MB15281
  • SY274886
  • EN300-3535597
  • Z2044773688
  • CAB90652

MDL Number

MFCD16994279

FAQ

What are the physical and chemical properties of 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol (CAS: 627906-52-9)?

2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol is a solid at room temperature with a molecular weight of approximately 328.44 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It exhibits low reactivity under normal conditions but can undergo boron-containing reactions. Its melting point is around 110-112°C.

How is 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol (CAS: 627906-52-9) typically synthesized?

This compound is commonly synthesized using a Grignard reaction followed by borate ester formation. The Grignard reagent is generated from 2-methylphenol and magnesium, which is then reacted with 1,3,2-dioxaborinane in the presence of a base like potassium tert-butoxide to form the desired product. The reaction is typically carried out in anhydrous conditions to prevent side reactions.

What industries use 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol (CAS: 627906-52-9)?

2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol is utilized in the pharmaceutical industry for its role in organic synthesis, particularly in the development of boron-containing drugs. It is also used in the polymer industry for modifying polymer properties and in analytical chemistry for sensor development.

What precautions should be taken when handling 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol (CAS: 627906-52-9)?

When handling 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenol, it is important to wear appropriate personal protective equipment (PPE) including gloves and safety glasses. It should be handled in a well-ventilated area or fume hood. Spills should be cleaned up with appropriate absorbent materials and proper disposal procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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