5-(3-pyridylmethyl)benzofuran-2-carboxylate

Identification

Molecular formula

C₁₇H₁₃NO₃

CAS number

15508-80-0

IUPAC name

5-(3-pyridylmethyl)benzofuran-2-carboxylate

State

The compound is a solid at room temperature. It is typically stable under normal conditions of storage and handling, assuming it is kept away from moisture and excessive heat.

Melting point (Celsius)

128.00

Melting point (Kelvin)

401.15

Boiling point (Celsius)

454.00

Boiling point (Kelvin)

727.15

General information

Molecular weight

279.30g/mol

Molar mass

279.2990g/mol

Density

1.3100g/cm³

Appearence

The compound is typically found as a light yellow to off-white solid, which may appear as a crystalline powder depending on its purity and specific form. Its appearance may vary slightly based on the conditions of synthesis and storage.

Comment on solubility

Solubility of 5-(3-pyridylmethyl)benzofuran-2-carboxylate

The solubility profile of the compound 5-(3-pyridylmethyl)benzofuran-2-carboxylate (C₁₇H₁₃NO₃) is a significant characteristic that can influence its applications and behavior in various environments.

Key Considerations for Solubility:

Polarity: The presence of polar functional groups such as the carboxylate can enhance solubility in polar solvents like water.
Hydrophobic Interactions: The benzofuran moiety contributes to hydrophobic characteristics, potentially leading to limited solubility in highly polar solvents.
Temperature Dependency: Solubility may increase with temperature, a common trend observed in many organic compounds.
pH Influence: The ionization of the carboxylic acid group at different pH levels can alter solubility; for instance, it may be more soluble in alkaline conditions.

In general, the overall solubility of this compound is likely to be moderate. It might exhibit better solubility in organic solvents compared to aqueous solutions due to its structural features.

Understanding these factors is crucial when evaluating its use in pharmaceutical formulations, as solubility directly affects the bioavailability and efficacy of the compound.

Interesting facts

Interesting Facts about 5-(3-pyridylmethyl)benzofuran-2-carboxylate

5-(3-pyridylmethyl)benzofuran-2-carboxylate is a fascinating compound that holds a significant position in the realm of organic chemistry. Here are some intriguing aspects to consider:

Structural Complexity: The compound features a unique hybrid structure integrating a pyridine moiety with a benzofuran core. This intricate design often results in intriguing chemical properties and reactivity.
Pharmacological Potential: Compounds like this one have been studied for their potential biological activities. Some derivatives of similar structural classes exhibit pharmacological properties such as anti-inflammatory, antioxidant, and even anticancer effects.
Research Applications: The versatile nature of the benzofuran structure allows this compound to be a candidate for various synthetic transformations, making it valuable in medicinal chemistry and drug design.
Significance of Substituents: The substitution at the 5-position with a pyridylmethyl group not only influences the electronic characteristics of the compound but also affects its interactions with biological targets.
Solubility and Interaction: Understanding the solubility behavior of this compound is crucial, especially in drug formulation where bioavailability is a key concern.
Future Directions: As research continues, compounds like 5-(3-pyridylmethyl)benzofuran-2-carboxylate are likely to inspire the development of novel therapeutic agents aimed at treating various diseases.

In conclusion, 5-(3-pyridylmethyl)benzofuran-2-carboxylate exemplifies how complex organic compounds can pave the way for innovative research and practical applications in chemistry and medicine. Understanding such structures enhances our knowledge of molecular interactions, potentially leading to breakthroughs in drug discovery.

Synonyms

CCG-204606

NCGC00162176-01

NCGC00162176-02

NCGC00162176-03

NCGC00162176-05