[5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid

Basic Information

View in Editor

CAS Number

850568-05-7

Molecular Formula

C8H8BFO4

Molecular Weight

197.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

146-148

SMILES

View in Editor

COC(=O)c1ccc(cc1B(O)O)F

InChI

InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3

InChIKey

CHDCMVDJRAQCTJ-UHFFFAOYSA-N

LogP

-0.7079000000000002

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

212

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

2-Methoxycarbonyl-5-fluorophenylboronic acid
5-Fluoro-2-(methoxycarbonyl)benzeneboronic acid
(5-fluoro-2-methoxycarbonylphenyl)boronic acid
5-Fluoro-2-methoxycarbonylphenylboronic acid
5-Fluoro-2-methoxycarboxyphenylboronic acid
Benzoic acid,2-borono-4-fluoro-, 1-methyl ester
5-fluoro-2-(methoxycarbonyl)phenylboronic acid
(5-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid
[5-fluoro-2-(methoxycarbonyl)phenyl]boronic acid
(5-fluoro-2-methoxycarbonyl-phenyl)boronic Acid
CHDCMVDJRAQCTJ
(5-fluoro-2-(methoxycarbonyl)phenyl)boronic acid

MDL Number

MFCD03095367

Customs Code

2931900090

FAQ

What are the physical and chemical properties of [5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7)?

[5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7) is a white to off-white crystalline solid with a molecular weight of approximately 266.2 g/mol. It is slightly soluble in water and has good solubility in organic solvents like EtOH and DMSO. The compound is known for its reactivity in boronate ester formation and is often used in organic synthesis. It has a melting point of around 125-127°C.

How is [5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7) typically synthesized?

[5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7) is typically synthesized through a multi-step process involving the preparation of 5-fluoro-2-(methoxycarbonyl)phenol followed by Mitsunobu reaction with boronic acid. Common catalysts include triphenylphosphine and diisopropyl azodicarboxylate. The yield is generally around 70-80%, and the product is purified by recrystallization or column chromatography.

What industries use [5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7)?

[5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7) is primarily used in the pharmaceutical and chemical industries due to its reactivity in boronate ester formation. It finds application in the synthesis of pharmaceuticals, materials, and organic compounds. This compound is also used in research for developing new drugs and materials with specific functional groups.

What precautions should be taken when handling [5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7)?

When handling [5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid (CAS: 850568-05-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, immediately clean up the area using appropriate methods and refer to the Safety Data Sheet (SDS) for specific handling procedures. Ensure that all reactions involving this compound are conducted in a well-ventilated fume hood to minimize exposure and inhalation risks.