4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole | CAS No. 1231930-37-2

4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole

Basic Information

CAS Number

1231930-37-2

Molecular Formula

C17H24BFN2O2

Molecular Weight

318.2 g/mol

AD

Basic Physical Properties

Boiling Point

442.7±30.0°C at 760 mmHg

Fc1cc(cc2c1nc(n2C(C)C)C)B1OC(C(O1)(C)C)(C)C

InChI

InChI=1S/C17H24BFN2O2/c1-10(2)21-11(3)20-15-13(19)8-12(9-14(15)21)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3

InChIKey

HUSPISQCNSLJSR-UHFFFAOYSA-N

LogP

3.363920000000002

Topological Polar Surface Area

36.28 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

444

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 1H-benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole
  • (4-FLUORO-1-ISOPROPYL-2-METHYL-1H-BENZO[D]IMIDAZOL-6-YL)BORONIC ACID PINACOL ESTER
  • AK174789
  • 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
  • 4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
  • 4-fluoro-2-methyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazole

MDL Number

MFCD25977327

FAQ

What are the physical and chemical properties of 4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole (CAS: 1231930-37-2)?

This compound is a solid with a crystalline form. Its molecular weight is approximately 467.5 g/mol. It shows limited solubility in water but good solubility in organic solvents like DMSO and DMF. Chemically, it is reactive towards nucleophiles, which makes it useful in various synthetic reactions. It is stable under normal laboratory conditions but should be handled with care due to its functional groups.

How is 4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole (CAS: 1231930-37-2) typically synthesized?

This compound can be synthesized via a multistep process involving the formation of a dioxaborolane group through coupling reactions with boronic acids. The synthesis involves the use of palladium catalysts and bases, with a yield of around 70-80%. The reaction conditions are optimized to ensure high selectivity and purity of the final product.

What industries use 4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole (CAS: 1231930-37-2)?

This compound is primarily used in pharmaceutical research for medicinal chemistry applications. It also finds use in the development of new materials and sensors. Its unique substituents make it particularly useful in applications requiring specific reactivity and functional group modifications.

What precautions should be taken when handling 4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole (CAS: 1231930-37-2)?

When handling this compound, ensure the use of appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be rinsed with water. Follow the Material Safety Data Sheet (MSDS) guidelines for disposal and storage. This compound is not flammable but should be stored away from strong oxidizers and heat sources.

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