2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | CAS No. 68716-50-7

2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Basic Information

CAS Number

68716-50-7

Molecular Formula

C12H15BCl2O2

Molecular Weight

272.97 g/mol

AD

Basic Physical Properties

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7H,1-4H3

InChIKey

SMSBTAPKLZZTAU-UHFFFAOYSA-N

LogP

3.292600000000002

Topological Polar Surface Area

18.46 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

280

Synonyms & References

English

  • 68716-50-7
  • A866993
  • SCHEMBL15071862
  • 2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • DTXSID10590381
  • C16237
  • Z1336745233
  • 1,3,2-DIOXABOROLANE, 2-(2,4-DICHLOROPHENYL)-4,4,5,5-TETRAMETHYL-
  • 2,4-Dichlorophenylboronic acid pinacol ester
  • 2,4-DICHLOROPHENYLBORONIC ACID, PINACOL ESTER
  • AKOS015960117
  • CS-0101253
  • BS-22729
  • FT-0698837
  • EN300-263907
  • 2,4-dichlorophenylboronic acid, pinacol ester, AldrichCPR
  • AB29197
  • MFCD06795660
  • 1,3,2-Dioxaborolane, 2-(2,4-dichlorophenyl)-4,4,5,5-tetramethyl-

MDL Number

MFCD06795660

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 68716-50-7)?

2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a white crystalline solid with a molecular weight of approximately 323.02 g/mol. It has low water solubility but is soluble in organic solvents like dichloromethane and acetone. The compound exhibits moderate reactivity in boron-containing reactions and is stable under normal laboratory conditions.

How is 2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 68716-50-7) typically synthesized?

2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is synthesized via a multistep route involving the bromination of 2,4-dichloroacetophenone, followed by reduction to the alcohol, and subsequent reaction with methyl vinyl ketone and sodium hydride. The final step is the dioxaborolane formation using boron tribromide and a palladium catalyst.

What industries use 2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 68716-50-7)?

2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is utilized in the pharmaceutical and chemical industries for its reactivity in boron-containing reactions, particularly in the synthesis of bioactive molecules and as a key intermediate in polymer and sensor applications.

What precautions should be taken when handling 2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 68716-50-7)?

When handling 2-(2,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation. In case of spill, immediately clean up using appropriate absorbent materials and follow local safety guidelines. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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