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Ethyl 2-oxocoumarin-3-carboxylate

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Identification
Molecular formula
C12H10O4
CAS number
1092-59-5
IUPAC name
ethyl 2-oxochromene-3-carboxylate
State
State

At room temperature, ethyl 2-oxochromene-3-carboxylate is typically in a solid state, presenting as crystalline powder or solid pieces.

Melting point (Celsius)
80.00
Melting point (Kelvin)
353.15
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.15
General information
Molecular weight
246.21g/mol
Molar mass
246.2200g/mol
Density
1.2728g/cm3
Appearence

Ethyl 2-oxochromene-3-carboxylate appears as a pale yellow to off-white crystalline solid. The compound is typically characterized by its crystalline structure and can vary slightly in color depending on purity and specific conditions during preparation.

Comment on solubility

Solubility of Ethyl 2-Oxochromene-3-Carboxylate

The solubility of ethyl 2-oxochromene-3-carboxylate presents some interesting characteristics that are influenced by its molecular structure. This compound, typically categorized under carboxylates, often demonstrates a varied solubility profile in different solvents.

Here are some key points regarding its solubility:

  • Solvents: Ethyl 2-oxochromene-3-carboxylate is generally soluble in organic solvents such as ethanol, methanol, and acetone, which are polar aprotic solvents.
  • Water Solubility: The solubility in water is typically limited due to the non-polar aromatic rings present in the molecule, which tend to hinder interactions with water molecules.
  • Temperature Dependency: Like many organic compounds, the solubility can increase with temperature. Therefore, heating the solvent may enhance the dissolving process.

In summary, while ethyl 2-oxochromene-3-carboxylate is soluble in polar organic solvents, its solubility in water is quite low, primarily due to its hydrophobic characteristics. As is often the case with organic compounds, the balance between polar and non-polar functional groups plays a crucial role in determining solubility.

Interesting facts

Interesting Facts about Ethyl 2-oxochromene-3-carboxylate

Ethyl 2-oxochromene-3-carboxylate is a fascinating compound that belongs to the class of chromene derivatives. These compounds have garnered considerable attention in the fields of organic chemistry and medicinal chemistry due to their diverse biological activities. Here are some key highlights:

  • Unique Structure: The structure of 2-oxochromene-3-carboxylate is characterized by its fused ring system, which contributes to its reactivity and interaction with biological systems.
  • Biological Activity: Compounds similar to ethyl 2-oxochromene-3-carboxylate have been studied for their anti-inflammatory, antioxidant, and antibacterial properties. It is worth noting that the exploration of such compounds could lead to the development of novel pharmaceuticals.
  • Versatile Synthetic Routes: The synthesis of ethyl 2-oxochromene-3-carboxylate can be achieved through various methodologies, including cyclization reactions, which are of great interest for synthetic chemists looking to optimize reaction conditions.
  • Chemical Versatility: The presence of both the carboxylate and carbonyl functional groups in its structure allows for further functionalization, making it a versatile building block for more complex molecules.

As a scientist or chemistry student, diving into the world of ethyl 2-oxochromene-3-carboxylate can deepen your understanding of chromene chemistry and open doors to exploring how small structural modifications can lead to significant changes in biological activity. As the famous chemist Linus Pauling once said, "Good chemistry is good business." The potential applications of this compound illustrate how exploring seemingly simple compounds can lead to profound implications in drug discovery and development.

Synonyms
Ethyl coumarin-3-carboxylate
1846-76-0
Ethyl 3-coumarincarboxylate
3-Ethoxycarbonylcoumarin
3-Carbethoxycoumarin
ethyl 2-oxochromene-3-carboxylate
Ethylcoumarin-3-carboxylate
Coumarin-3-carboxylic acid ethyl ester
2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, ETHYL ESTER
NSC 620
1,2-Benzopyran-2-one-3-carboxylic acid, ethyl ester
BRN 0200147
27EAZ97E5V
NSC-620
XKHPEMKBJGUYCM-UHFFFAOYSA-
DTXSID70171594
Propionic acid 2-oxo-2H-chromen-3-yl ester
ETHYL 2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLATE
ETHYL 2H-1-BENZOPYRAN-2-OXO-3-CARBOXYLATE
ETHYL 2H-2-OXO-1-BENZOPYRAN-3-CARBOXYLATE
2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLIC ACID ETHYL ESTER
DTXCID4094085
811-043-7
inchi=1/c12h10o4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7h,2h2,1h3
Ethyl 2-oxo-2H-chromene-3-carboxylate
MFCD00016964
3-carboethoxycoumarin
Maybridge1_001094
UNII-27EAZ97E5V
CHEMBL591436
FC16
NSC620
SCHEMBL6243624
2-OXO-2H, ETHYL ESTER
HMS544J16
Ethyl 3-coumarincarboxylate, 99%
ALBB-036325
MSK164124
s9336
STK721837
AKOS002664637
CCG-244048
CS-W014797
HY-W014081
PS-5756
SDCCGMLS-0065851.P001
SY048423
Ethyl 2-oxo-2H-chromene-3-carboxylate #
1ST164124
DB-044537
E0992
2-oxo-chromene-3-carboxylic acid ethyl ester
AJ-333/36116059