[2-Methyl-4-(trifluoromethoxy)phenyl]boronic acid | CAS No. 850033-39-5

[2-Methyl-4-(trifluoromethoxy)phenyl]boronic acid

Basic Information

CAS Number

850033-39-5

Molecular Formula

C8H8BF3O3

Molecular Weight

219.96 g/mol

AD

Basic Physical Properties

Boiling Point

280.8°C at 760 mmHg

Density

1.36

Flash Point

123.6°C

Refractive Index

1.464

Cc1cc(OC(F)(F)F)ccc1B(O)O

InChI

InChI=1S/C8H8BF3O3/c1-5-4-6(15-8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3

InChIKey

VZNGQLGNHIYWOD-UHFFFAOYSA-N

LogP

0.5734199999999994

Topological Polar Surface Area

49.69 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

210

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

  • 2-Methyl-4-(trifluoromethoxy)phenylboronic acid
  • [2-methyl-4-(trifluoromethoxy)phenyl]boronic acid
  • 2-Methyl-4-trifluoromethoxyphenylboronic acid
  • Boronic acid,B-[2-methyl-4-(trifluoromethoxy)phenyl]-
  • PC7578

MDL Number

MFCD09475816

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5)?

(2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5) is a white crystalline solid with a molecular weight of approximately 320.11 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and acetonitrile. This compound is relatively stable but reactive towards strong bases and reducing agents. It is used in various synthetic applications due to its reactivity in Suzuki couplings.

How is (2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5) typically synthesized?

(2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5) is commonly synthesized through a multistep process involving the protection of the phenolic hydroxyl group, followed by the introduction of the trifluoromethoxy group, and finally the generation of the boronic acid functionality. This synthesis typically requires catalysts like palladium(II) acetate and ligands such as Xantphos, with high selectivity and yields.

What industries use (2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5)?

(2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5) is primarily used in the pharmaceutical and polymer industries for the preparation of medicinally active compounds and functional polymers. It is also utilized in semiconductor manufacturing for its stability and reactivity under various conditions.

What precautions should be taken when handling (2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5)?

When handling (2-Methyl-4-(trifluoromethoxy)phenyl)boronic acid (CAS: 850033-39-5), appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats should be worn. This compound should be handled in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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