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4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid

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Identification
Molecular formula
C16H22O6
CAS number
147783-56-8
IUPAC name
4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
State
State

At room temperature, 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid is typically in a solid state.

Melting point (Celsius)
148.00
Melting point (Kelvin)
421.15
Boiling point (Celsius)
480.00
Boiling point (Kelvin)
753.15
General information
Molecular weight
308.35g/mol
Molar mass
308.3520g/mol
Density
1.2567g/cm3
Appearence

4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid typically appears as a crystalline powder. The substance can range in color from white to off-white, although exact appearance might vary slightly depending on purity and polymorphs.

Comment on solubility

Solubility of 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid: C16H22O6

The solubility of 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid, a complex organic compound, can be influenced by several factors, which are crucial for its application in various fields. Here are some key points to consider:

  • Polar vs Non-polar: The presence of multiple ethoxy groups suggests that the compound may exhibit polar characteristics, potentially enhancing its solubility in polar solvents such as water.
  • Hydrocarbon Chains: The long hydrocarbon chains present in the ethoxy groups can lead to an increase in hydrophobic interactions, which might reduce solubility in highly polar solvents.
  • pH Sensitivity: The carboxylic acid functional group (–COOH) may impart pH-dependent solubility; it could become more soluble in basic conditions due to deprotonation.
  • Solvent Compatibility: This compound is likely to be more soluble in organic solvents such as ethanol and acetone compared to water, owing to its structural characteristics.

In summary, the solubility of 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid is influenced by its unique chemical structure, which includes both polar and non-polar regions. Understanding its solubility profile is essential for optimizing its use in chemical reactions and formulations.

Interesting facts

Interesting Facts About 4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic Acid

4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid is a fascinating compound that sits at the intersection of organic chemistry and medicinal applications. This compound is an example of an aromatic carboxylic acid, which plays a vital role in the synthesis of various pharmaceuticals and agrochemicals.

Key Features

  • Aromatic Backbone: The presence of a triethoxyphenyl group provides a unique electronic structure that can enhance biological activity.
  • Potential Antioxidant Activity: Compounds with similar structures have shown potential antioxidant properties, making them of interest for health-related applications.
  • Versatile Functional Group: The carboxylic acid functional group allows for further derivatization, providing avenues for creating new derivatives with potentially enhanced activities.

Applications

This compound is particularly noteworthy in the fields of:

  • Pharmaceutical Development: Due to its potential biological properties, it may serve as a lead compound in drug design.
  • Agricultural Chemistry: Its chemical structure may offer benefits in the formulation of herbicides or insecticides.

Thought-Provoking Insight

As a chemist, one might ponder: How might the introduction of various substituents in the aromatic ring affect the compound's efficacy or safety profile? This underscores the importance of structure-activity relationships in medicinal chemistry.

Overall, 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid exemplifies how a single molecule can hold vast potential in multiple scientific disciplines, showcasing the beauty and complexity of chemical exploration.

Synonyms
trepibutone
41826-92-0
Supacal
4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
AA 149; Supacal
Colibil
DTXSID6046634
3-(2',4',5'-triethoxybenzoyl)propionic acid
H1187LU49Q
NCGC00167448-01
DTXCID4026634
Trepibuton
Trepibutonum
Triethoxybenzoylpropionate
Trepibutone [INN:JAN]
Trepibuton [INN-Spanish]
Trepibutonum [INN-Latin]
CAS-41826-92-0
3-(2,4,5-Triethoxybenzoyl)propionic acid
AA149
BRN 2059640
Choliatron
Trepibutona
UNII-H1187LU49Q
Trepibutone ,(S)
Supacal (TN)
2,4,5-TRIETHOXY-GAMMA-OXOBENZENEBUTANOIC ACID
Trepibutone (Standard)
TREPIBUTONE [MI]
TREPIBUTONE [INN]
TREPIBUTONE [JAN]
Propionic acid, 3-(2,4,5-triethoxybenzoyl)-
Trepibutone (JP17/INN)
TREPIBUTONE [MART.]
SCHEMBL25039
TREPIBUTONE [WHO-DD]
CHEMBL1725880
CHEBI:32255
YPTFHLJNWSJXKG-UHFFFAOYSA-N
BCP13812
Tox21_112452
AA-149
AKOS015896171
Tox21_112452_1
DB13311
HY-108283R
NCGC00167448-02
BS-52034
DA-68315
HY-108283
CS-0028138
NS00127006
4-oxo-4-(2,4,5-triethoxyphenyl)butanoicacid
AA149; AA 149; AA-149
D01365
F74234
3-(2',4',5'-triethoxybenzoyl)-propionic acid
Q7838676
BRD-K37543758-001-01-3