(2-Fluoro-5-methoxyphenyl)acetic acid

Basic Information

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CAS Number

798563-50-5

Molecular Formula

C9H9FO3

Molecular Weight

184.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

SMILES

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COc1ccc(F)c(CC(=O)O)c1

InChI

InChI=1S/C9H9FO3/c1-13-7-2-3-8(10)6(4-7)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChIKey

FQQPGAGVFVTCDB-UHFFFAOYSA-N

LogP

1.4614

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

2-(2-Fluoro-5-methoxyphenyl)acetic acid
2-(2-fluoro-5-methoxyphenyl)acetic acid

MDL Number

MFCD13185602

FAQ

What are the physical and chemical properties of (2-Fluoro-5-methoxyphenyl)acetic acid (CAS: 798563-50-5)?

(2-Fluoro-5-methoxyphenyl)acetic acid is a crystalline solid with a molecular weight of approximately 222.17 g/mol. It has a pKa of about 4.2 and is slightly soluble in water. The compound exhibits good solubility in common organic solvents such as methanol and acetonitrile. It is relatively stable under normal conditions but can degrade under strong acidic or basic conditions. Reactivity is primarily seen in its carboxylic acid functionality and the fluoro and methoxy substituents.

How is (2-Fluoro-5-methoxyphenyl)acetic acid (CAS: 798563-50-5) typically synthesized?

(2-Fluoro-5-methoxyphenyl)acetic acid can be synthesized using a two-step process. First, 2-fluoro-5-methoxybenzaldehyde is reacted with acetyl chloride in the presence of an appropriate base to form the acetylated product. This is then hydrolyzed using a strong acid to yield the carboxylic acid. The synthesis involves the use of potassium hydroxide as a base and is typically performed in methanol or ethanol. Yield and selectivity are generally high in this process.

What industries use (2-Fluoro-5-methoxyphenyl)acetic acid (CAS: 798563-50-5)?

(2-Fluoro-5-methoxyphenyl)acetic acid finds applications in various industries. It is used in the pharmaceutical sector for the synthesis of certain drugs due to its structural similarity to other bioactive compounds. In the polymer industry, it can be used as a monomer for the production of special polymers. Additionally, it has potential uses in the development of sensors and semiconductors, where its unique chemical properties can be exploited.

What precautions should be taken when handling (2-Fluoro-5-methoxyphenyl)acetic acid (CAS: 798563-50-5)?

When handling (2-Fluoro-5-methoxyphenyl)acetic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a closed container away from heat and direct sunlight. In case of skin contact, immediately wash with soap and water. If swallowed, seek medical attention immediately. A safety data sheet (SDS) should be consulted for detailed handling and emergency procedures. This compound should be used in a well-ventilated area or with a fume hood to minimize exposure to potential fumes.