(4-Fluoro-2,6-dimethylphenyl)boronic acid

Basic Information

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CAS Number

1392512-54-7

Molecular Formula

C8H10BFO2

Molecular Weight

167.98 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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Cc1cc(F)cc(C)c1B(O)O

InChI

InChI=1S/C8H10BFO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,11-12H,1-2H3

InChIKey

GNTWJIXJCKRFJD-UHFFFAOYSA-N

LogP

0.12233999999999978

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

142

Synonyms & References

English

(4-fluoro-2,6-dimethylphenyl)boronic acid
2,6-Dimethyl-4-fluorophenylboronic acid
2,6-Dimethyl-4-fluorophenylboronicacid

MDL Number

MFCD23712929

FAQ

What are the physical and chemical properties of (4-Fluoro-2,6-dimethylphenyl)boronic acid (CAS: 1392512-54-7)?

(4-Fluoro-2,6-dimethylphenyl)boronic acid is a white crystalline solid with a molecular weight of approximately 250.22 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. This compound is reactive towards nucleophiles and can participate in boronate ester formation and other organoboron reactions, making it a valuable reagent in synthetic chemistry.

How is (4-Fluoro-2,6-dimethylphenyl)boronic acid (CAS: 1392512-54-7) typically synthesized?

(4-Fluoro-2,6-dimethylphenyl)boronic acid is commonly synthesized via an organoboration reaction. It involves the reaction of 4-fluoro-2,6-dimethylphenylboronic ester with a boronate ester in the presence of a palladium catalyst and a base. The yield and selectivity can be controlled by optimizing reaction conditions such as temperature and catalyst loading.

What industries use (4-Fluoro-2,6-dimethylphenyl)boronic acid (CAS: 1392512-54-7)?

(4-Fluoro-2,6-dimethylphenyl)boronic acid is utilized in the pharmaceutical industry for the synthesis of drug candidates, particularly in multistep syntheses. It is also used in the polymer industry for the modification of polymers and in the electronics industry for semiconductor applications, where it can be used as a precursor in the fabrication of boron-doped layers.

What precautions should be taken when handling (4-Fluoro-2,6-dimethylphenyl)boronic acid (CAS: 1392512-54-7)?

When handling (4-Fluoro-2,6-dimethylphenyl)boronic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work应在通风橱中进行操作，以避免吸入或皮肤接触。如果发生泄漏，应立即用大量水冲洗，并参考安全数据表（SDS）以获取进一步的处理建议。