4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone | CAS No. 765948-78-5

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

Basic Information

CAS Number

765948-78-5

Molecular Formula

C14H18BNO3

Molecular Weight

259.11 g/mol

AD

Basic Physical Properties

B1(OC(C(O1)(C)C)(C)C)C2=C3CNC(=O)C3=CC=C2

InChI

InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)11-7-5-6-9-10(11)8-16-12(9)17/h5-7H,8H2,1-4H3,(H,16,17)

InChIKey

CXNFLUANJNYFBF-UHFFFAOYSA-N

LogP

1.2291999999999998

Topological Polar Surface Area

47.56 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

380

Synonyms & References

English

  • AKOS015901463
  • AM20120456
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one
  • CXNFLUANJNYFBF-UHFFFAOYSA-N
  • P11181
  • PB20614
  • 4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-2,3-DIHYDRO-ISOINDOL-1-ONE
  • DTXSID70619880
  • 1-Oxoisoindoline-4-boronic Acid Pinacol Ester
  • Z2049763545
  • A838759
  • J-513438
  • MFCD11617913
  • 1H-Isoindol-1-one, 2,3-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • BCP26419
  • 4-(4,4,5,5-Tetramethyl-1,3,2- dioxaborolan-2-yl)isoindolin-1-one
  • 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one
  • SCHEMBL1335533
  • EN300-816108
  • (1-OXOISOINDOLIN-4-YL)BORONIC ACID PINACOL ESTER
  • AS-50818
  • 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE
  • CS-0051135
  • SY068368
  • 2,3-Dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-1-one
  • 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
  • 1-Oxo-2,3-dihydro-isoindole-4-boronic acid pinacol ester
  • 765948-78-5
  • 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone
  • A9706
  • 2,3-DIHYDRO-1H-ISOINDOL-1-ONE-4-BORONIC ACID PINACOL ESTER

MDL Number

MFCD11617913

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone (CAS: 765948-78-5)?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone is a crystalline compound with a molecular weight of approximately 324.37 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMF and DMSO. Chemically, it is stable under normal conditions but reacts with strong acids and bases. It can be used in synthesis as a boron-containing reagent.

How is 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone (CAS: 765948-78-5) typically synthesized?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone is synthesized via a multi-step process involving the protection of 1-isoindolinone, followed by the introduction of a boron-containing group. Commonly, this involves using Boc-protected 1-isoindolinone and a boronic acid in the presence of a catalytic amount of palladium, a base, and a suitable solvent.

What industries use 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone (CAS: 765948-78-5)?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone is utilized in pharmaceuticals for its role as a building block in medicinal chemistry. It also finds application in the synthesis of polymers and sensors, particularly in the development of boron-containing materials for electronic and optical applications.

What precautions should be taken when handling 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone (CAS: 765948-78-5)?

Handling 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone requires the use of personal protective equipment (PPE) including gloves, goggles, and lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate decontamination procedures, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.

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