5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole | CAS No. 837392-66-2

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole

Basic Information

CAS Number

837392-66-2

Molecular Formula

C13H16BNO3

Molecular Weight

245.09 g/mol

AD

Basic Physical Properties

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)ON=C3

InChI

InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3

InChIKey

ODSQMJSTZMKVEO-UHFFFAOYSA-N

LogP

2.127

Topological Polar Surface Area

44.49 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

318

Synonyms & References

English

  • AS-53120
  • AKOS030525983
  • 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzisoxazole
  • WLZ2876
  • P16100
  • MFCD09027764
  • SY030358
  • DTXSID101169307
  • MB06771
  • 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole
  • Benzo[d]isoxazole-5-boronic acid pinacol ester
  • 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]ISOXAZOLE
  • CS-0050746
  • 837392-66-2
  • 1,2-Benzoxazole-5-boronic acid pinacol ester
  • SCHEMBL3530881
  • 1,2-Benzisoxazole-5-boronic Acid Pinacol Ester
  • 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole

MDL Number

MFCD09027764

FAQ

What are the physical and chemical properties of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2)?

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2) is a white to off-white crystalline solid with a molecular weight of approximately 310.3 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. This compound exhibits good stability under normal conditions but reacts readily with acids and bases. It is often used in synthesis due to its reactivity in coordination chemistry and organoboron chemistry.

How is 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2) typically synthesized?

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2) is typically synthesized via a multistep process involving the protection of the benzoxazole ring followed by introduction of the tetramethyl-1,3,2-dioxaborolane moiety. Common methods include the use of boronic acids and palladium catalysts, with good yield and selectivity under mild conditions. The exact conditions may vary based on the starting materials and desired purity.

What industries use 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2)?

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2) finds applications in pharmaceuticals for the synthesis of drug intermediates, in polymers for the development of novel materials, and in sensors for detecting specific chemical species. It is also used in semiconductor manufacturing for specific chemical processes.

What precautions should be taken when handling 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2)?

When handling 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole (CAS: 837392-66-2), use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a fume hood to minimize inhalation risks. Dispose of any waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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