N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide | CAS No. 1330596-14-9

N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide

Basic Information

CAS Number

1330596-14-9

Molecular Formula

C19H22BNO3

Molecular Weight

323.2 g/mol

AD

Basic Physical Properties

O=C(c1ccccc1)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C

InChI

InChI=1S/C19H22BNO3/c1-18(2)19(3,4)24-20(23-18)15-11-8-12-16(13-15)21-17(22)14-9-6-5-7-10-14/h5-13H,1-4H3,(H,21,22)

InChIKey

YRVJWHIVVDYOFP-UHFFFAOYSA-N

LogP

3.238100000000002

Topological Polar Surface Area

47.56 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

444

Synonyms & References

English

  • N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Benzamide
  • N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide

MDL Number

MFCD22494317

FAQ

What are the physical and chemical properties of N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide (CAS: 1330596-14-9)?

N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide is a white or off-white crystalline solid with a molecular weight of approximately 418.43 g/mol. It has a melting point of 150-152°C and is soluble in organic solvents such as DMF and DMSO. It is less soluble in water. The compound shows good reactivity in boron-containing reactions and is stable under normal conditions but should be handled under inert conditions to prevent oxidation.

How is N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide (CAS: 1330596-14-9) typically synthesized?

N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide is typically synthesized through Suzuki coupling reactions. This involves the coupling of a boronic acid derivative with a phenyl benzamide in the presence of a palladium catalyst, such as Pd(PPh3)4, and a base like potassium carbonate, under microwave conditions. The reaction yields the target compound with good selectivity and high yield.

What industries use N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide (CAS: 1330596-14-9)?

N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide is used in the pharmaceutical industry for the synthesis of various drug candidates and in the chemical industry for the production of functionalized materials. It is also utilized in polymer science for modifying the properties of polymers and in sensing technologies due to its specific reactivity with boron compounds.

What precautions should be taken when handling N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide (CAS: 1330596-14-9)?

When handling N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin and eye contact. The compound should be stored in a well-ventilated area and handled under a fume hood to prevent exposure to air. In case of spill, it should be cleaned up carefully, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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