4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane | CAS No. 957062-84-9

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane

Basic Information

CAS Number

957062-84-9

Molecular Formula

C13H18BNO4

Molecular Weight

263.1 g/mol

AD

Basic Physical Properties

Boiling Point

378.9℃ at 760 mmHg

Flash Point

182.9℃

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H18BNO4/c1-9-6-7-10(15(16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3

InChIKey

LYFUUPOOXAXEEP-UHFFFAOYSA-N

LogP

2.72560

Complexity

350

Synonyms & References

English

  • 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
  • 2-Methyl-5-nitrophenylboronic Acid Pinacol Ester
  • 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-
  • 2-METHYL-5-NITROBENZENEBORONIC ACID, PINACOL ESTER
  • 2-Methyl-5-nitrophenyl boric acid pinacol ester
  • 2-Methyl-5-nitrophenylboronic acid, pinacol ester
  • 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methyl-5-nitrophenylboronate
  • PubChem18757
  • LYFUUPOOXAXEEP-UHFFFAOYSA-N
  • ZXBA000483
  • OR3190
  • MB06753
  • FCH2821
  • 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane (ACI)
  • 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)[1,3,2]dioxaborolane
  • 2-Methyl-5-nitrophenylboronic acid pinacol ester, AldrichCPR
  • 957062-84-9
  • 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
  • CS-11163
  • SY007279
  • ?2-Methyl-5-nitrophenylboronic Acid Pinacol Ester
  • AKOS015950535
  • Z2049929780
  • 2-Methyl-5-nitrophenylboronicAcidPinacolEster
  • DTXSID90590400
  • SCHEMBL1897857
  • EN300-7384043
  • 2-Methyl-5-nitrophenylboronic acid pinacol ester
  • MFCD09027081

MDL Number

MFCD09027081

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane (CAS: 957062-84-9)?

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is a solid with a crystalline form. It has a molecular weight of approximately 330.06 g/mol. This compound is slightly soluble in common organic solvents like dichloromethane and toluene. It is moderately reactive, particularly towards electron-rich substrates in Suzuki coupling reactions.

How is 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane (CAS: 957062-84-9) typically synthesized?

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is synthesized through a multistep process that begins with the nitration of a phenylboronic acid derivative, followed by a coupling reaction under microwave-assisted conditions. This method ensures high yield and selectivity, often employing palladium catalysts and base additives.

What industries use 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane (CAS: 957062-84-9)?

4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is primarily used in the pharmaceutical and polymer industries. It plays a crucial role in the synthesis of drug intermediates and as a monomer in the development of new polymers with unique properties. Additionally, it finds applications in the electronics industry for the production of semiconductors and sensors.

What precautions should be taken when handling 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane (CAS: 957062-84-9)?

When handling 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed handling and storage guidelines.

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