3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole | CAS No. 1314138-13-0

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

Basic Information

CAS Number

1314138-13-0

Molecular Formula

C12H19BN2O2

Molecular Weight

234.11 g/mol

AD

Basic Physical Properties

CC1(C)OB(OC1(C)C)c1cnn2c1CCC2

InChI

InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-8-14-15-7-5-6-10(9)15/h8H,5-7H2,1-4H3

InChIKey

LJCFTIMGDJYWHD-UHFFFAOYSA-N

LogP

1.1284999999999996

Topological Polar Surface Area

36.28 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

306

Synonyms & References

English

  • 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole
  • 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
  • 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole
  • LJCFTIMGDJYWHD-UHFFFAOYSA-N
  • SB12194
  • FCH2877876
  • AX8279222
  • 4H,5H,6H-pyrrolo[1,2-b]pyrazole-3-boronic acid pinacol ester

MDL Number

MFCD22381490

FAQ

What are the physical and chemical properties of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CAS: 1314138-13-0)?

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is a solid, crystalline compound with a molecular weight of approximately 372.46 g/mol. It is slightly soluble in common organic solvents like dimethylformamide (DMF) and acetone. The compound shows moderate reactivity towards nucleophiles and can undergo substitution reactions under appropriate conditions. Its physical properties include a melting point of around 165-167°C.

How is 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CAS: 1314138-13-0) typically synthesized?

This compound can be synthesized by palladium-catalyzed coupling reactions of boronic acids with 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole derivatives. Commonly used catalysts include Pd(PPh3)4 or PdCl2(dppf). The reaction typically provides good yield and selectivity, with the products being isolated by column chromatography.

What industries use 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CAS: 1314138-13-0)?

This compound is primarily used in pharmaceutical and material science industries. It serves as a key intermediate in the synthesis of complex organic molecules and is utilized in the development of new drug candidates. Additionally, it has applications in the synthesis of functional polymers and as a building block in the construction of advanced materials.

What precautions should be taken when handling 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CAS: 1314138-13-0)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage procedures.

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