(2-Fluoro-6-isopropoxyphenyl)boronic acid

Basic Information

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CAS Number

870777-17-6

Molecular Formula

C9H12BFO3

Molecular Weight

198 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

78-83 °C

Boiling Point

319.5°C at 760 mmHg

Density

1.17

Flash Point

147°C

Refractive Index

1.495

SMILES

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CC(OC1=C(B(O)O)C(F)=CC=C1)C

InChI

InChI=1S/C9H12BFO3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6,12-13H,1-2H3

InChIKey

WVAMTUDWTJMGSG-UHFFFAOYSA-N

LogP

0.29269999999999985

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Synonyms & References

English

(2-Fluoro-6-isopropoxyphenyl)boronic acid
(2-fluoro-6-propan-2-yloxyphenyl)boronic acid
2-Fluoro-6-isopropoxyphenylboronic acid
2-Fluro-6-isopropoxyphenylboronic acid
Boronic acid,B-[2-fluoro-6-(1-methylethoxy)phenyl]-

MDL Number

MFCD06798078

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6)?

(2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6) is a white crystalline solid with a molecular weight of approximately 300.29 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. This compound exhibits moderate reactivity in Suzuki coupling reactions, making it useful in organic synthesis. It is stable under normal conditions but should be stored away from heat and moisture.

How is (2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6) typically synthesized?

(2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6) can be synthesized via a boronate ester formation from 2-fluoro-6-isopropoxyphenol and sodium borohydride. The reaction is typically carried out in the presence of a base such as potassium carbonate in an aprotic solvent like dimethylformamide (DMF). The yield is usually around 75-85%, with good selectivity for the boronic acid product.

What industries use (2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6)?

(2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6) is used in the pharmaceutical industry for the synthesis of drug intermediates and in the polymer industry for the preparation of functional polymers. It also finds applications in the development of sensors and as a building block in the synthesis of semiconducting materials. Its utility in organic synthesis makes it a valuable reagent in academic and industrial settings.

What precautions should be taken when handling (2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6)?

When handling (2-Fluoro-6-isopropoxyphenyl)boronic acid (CAS: 870777-17-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The material should be used in a well-ventilated fume hood to prevent inhalation. Spills should be handled with care, using appropriate cleaning agents and disposing of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal guidelines.