Cas no 42288-01-7 (3-(3,5-di-tert-butylphenyl)propanoic acid)

3-(3,5-di-tert-butylphenyl)propanoic acid is a sterically hindered aromatic carboxylic acid characterized by its tert-butyl substituents, which enhance its stability and influence its reactivity. The bulky tert-butyl groups provide steric protection, reducing unwanted side reactions and improving selectivity in synthetic applications. This compound is useful as an intermediate in organic synthesis, particularly in the preparation of specialty chemicals, antioxidants, and polymer additives. Its structural features contribute to thermal and oxidative stability, making it suitable for high-performance applications. The propanoic acid moiety allows for further functionalization, enabling its incorporation into more complex molecular architectures. Its well-defined structure ensures consistent performance in research and industrial processes.
3-(3,5-di-tert-butylphenyl)propanoic acid structure
42288-01-7 structure
Product Name:3-(3,5-di-tert-butylphenyl)propanoic acid
CAS No:42288-01-7
MF:C17H26O2
MW:262.387145519257
MDL:MFCD09258906
CID:324523
PubChem ID:19107746
Update Time:2025-05-22

3-(3,5-di-tert-butylphenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoicacid, 3,5-bis(1,1-dimethylethyl)-
    • 3-(3,5-Di-tert-butylphenyl)propionic acid
    • 3-(3,5-ditert-butylphenyl)propanoic acid
    • 3,5-Di-tert-butylhydrocinnamic acid
    • 3-(3,5-di-tert-butylphenyl)propanoic acid
    • 3-(3,5-di-tert-butylphenyl)propanoicacid
    • F9995-0932
    • CHEMBL4559968
    • Benzenepropanoicacid,3,5-bis(1,1-dimethylethyl)-
    • SY303395
    • 42288-01-7
    • DTXSID20598156
    • MFCD09258906
    • AKOS015958501
    • SCHEMBL9702460
    • 3-(3,5-Di-tert-butylphenyl)propionic acid, 96%
    • MDL： MFCD09258906
    • Inchi： 1S/C17H26O2/c1-16(2,3)13-9-12(7-8-15(18)19)10-14(11-13)17(4,5)6/h9-11H,7-8H2,1-6H3,(H,18,19)
    • InChI Key： WTYBGPKEFLHQFK-UHFFFAOYSA-N
    • SMILES： OC(CCC1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 262.193280068g/mol
  • Monoisotopic Mass: 262.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 284
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.983±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 103-108℃
  • Boiling Point: 335.4±11.0 °C at 760 mmHg
  • Flash Point: 232.4±14.4 °C
  • Solubility: Almost insoluble (0.029 g/l) (25 o C),
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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3-(3,5-di-tert-butylphenyl)propanoic acid Related Literature

Additional information on 3-(3,5-di-tert-butylphenyl)propanoic acid

3-(3,5-Di-tert-butylphenyl)Propanoic Acid

3-(3,5-Di-tert-butylphenyl)propanoic acid, also known by its CAS registry number 42288-01-7, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a propanoic acid group with a substituted phenyl ring. The presence of two bulky tert-butyl groups on the phenyl ring imparts distinctive electronic and steric properties to the molecule, making it a valuable component in various applications.

The synthesis of 42288-01-7 typically involves multi-step organic reactions, often starting from readily available aromatic precursors. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and environmental impact. Researchers have also explored the use of microwave-assisted synthesis to accelerate reaction times while maintaining high yields.

One of the most notable applications of 3-(3,5-di-tert-butylphenyl)propanoic acid is in the development of advanced materials. Its ability to form stable metal complexes has made it a key component in the creation of coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional porosity and surface area, making them ideal for gas storage and separation applications. For instance, studies have demonstrated that MOFs incorporating this compound can efficiently capture carbon dioxide, offering a promising solution to environmental challenges.

In the pharmaceutical industry, 42288-01-7 has shown potential as a building block for drug delivery systems. Its hydrophobic nature allows for the encapsulation of hydrophobic drugs, enhancing their bioavailability. Recent research has focused on its use in stimuli-responsive drug delivery systems, where the release of the drug can be controlled by external factors such as pH or temperature.

The electronic properties of 3-(3,5-di-tert-butylphenyl)propanoic acid also make it a candidate for applications in organic electronics. Its ability to act as an electron acceptor has been leveraged in the development of organic photovoltaic devices. Studies have shown that incorporating this compound into donor-acceptor blends can improve charge separation efficiency, leading to higher device performance.

From an environmental perspective, 42288-01-7 has been investigated for its role in biodegradation studies. Its resistance to microbial degradation under certain conditions highlights its potential persistence in the environment. However, recent findings suggest that under specific environmental conditions, such as high temperatures or UV exposure, the compound can undergo photochemical degradation, reducing its environmental footprint.

In conclusion, 3-(3,5-di-tert-butylphenyl)propanoic acid (CAS No 42288-01-7) is a versatile compound with a wide range of applications across multiple disciplines. Its unique structure and properties continue to drive innovative research and development efforts. As advancements in synthetic methods and material science progress, this compound is poised to play an even more significant role in addressing global challenges in energy storage, drug delivery, and environmental sustainability.

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