Cas no 35387-19-0 (4-(2-hydroxyphenyl)butanoic acid)

4-(2-Hydroxyphenyl)butanoic acid is a hydroxy-substituted phenylbutanoic acid derivative with potential applications in organic synthesis and pharmaceutical research. Its structure combines a phenolic hydroxyl group with a butanoic acid chain, offering reactivity at both functional sites for further derivatization. The compound may serve as an intermediate in the synthesis of bioactive molecules, including nonsteroidal anti-inflammatory drug (NSAID) analogs or other pharmacologically relevant scaffolds. Its phenolic group enables selective modifications, while the carboxylic acid moiety allows for coupling reactions or salt formation. The balanced hydrophilicity-lipophilicity profile of this molecule may also be advantageous in drug design. Proper handling is recommended due to the reactivity of its functional groups.
4-(2-hydroxyphenyl)butanoic acid structure
35387-19-0 structure
Product Name:4-(2-hydroxyphenyl)butanoic acid
CAS No:35387-19-0
MF:C10H12O3
MW:180.200483322144
MDL:MFCD00796474
CID:1469854
PubChem ID:4189498
Update Time:2025-10-21

4-(2-hydroxyphenyl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenebutanoic acid, 2-hydroxy-
    • 2-hydroxybenzenebutanoic acid
    • 4-(2-hydroxyphenyl)butanoic acid
    • AKOS015890964
    • 4-(2-hydroxyphenyl)butanoicAcid
    • F73859
    • 35387-19-0
    • CS-0345970
    • MFCD00796474
    • 4-(2-Hydroxyphenyl)butyric acid
    • EN300-1868726
    • BS-52053
    • SCHEMBL1827150
    • CTIJRJWOAGTXJC-UHFFFAOYSA-N
    • 4-(2-hydroxyphenyl)-butyric acid
    • MDL: MFCD00796474
    • Inchi: 1S/C10H12O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-2,4,6,11H,3,5,7H2,(H,12,13)
    • InChI Key: CTIJRJWOAGTXJC-UHFFFAOYSA-N
    • SMILES: OC1C=CC=CC=1CCCC(=O)O

Computed Properties

  • Exact Mass: 180.07866
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 168
  • 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: 1.8
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

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Additional information on 4-(2-hydroxyphenyl)butanoic acid

Benzenebutanoic Acid, 2-Hydroxy- (CAS No. 35387-19-0): A Comprehensive Overview

Benzenebutanoic acid, 2-hydroxy-, also known by its CAS registry number 35387-19-0, is a chemical compound that has garnered significant attention in both academic and industrial research. This compound, characterized by its unique chemical structure and versatile properties, plays a pivotal role in various applications across different industries. In this article, we delve into the structural properties, chemical characteristics, applications, and the latest advancements in the synthesis and utilization of benzenebutanoic acid, 2-hydroxy-.

The molecular structure of benzenebutanoic acid, 2-hydroxy- consists of a benzene ring with a hydroxyl group (-OH) at the second position and a butanoic acid substituent. This arrangement imparts the compound with distinct chemical reactivity and physical properties. The presence of both aromatic and carboxylic acid functionalities makes it a valuable intermediate in organic synthesis. Recent studies have highlighted its potential in the development of advanced materials, pharmaceuticals, and agrochemicals.

One of the most notable aspects of benzenebutanoic acid, 2-hydroxy- is its ability to participate in various chemical reactions due to its functional groups. For instance, the hydroxyl group can undergo oxidation to form a ketone or further oxidize to produce a carboxylic acid. Similarly, the carboxylic acid group can be esterified or amidated to yield derivatives with enhanced stability or bioavailability. These properties have been exploited in recent research to develop novel drug delivery systems and biodegradable polymers.

In terms of physical properties, benzenebutanoic acid, 2-hydroxy- exhibits a melting point of approximately 150°C and is sparingly soluble in water but readily soluble in organic solvents such as dichloromethane and ethyl acetate. These characteristics make it suitable for use in organic synthesis where precise control over solubility is required. Recent advancements in green chemistry have also explored the use of this compound in solvent-free reaction conditions to minimize environmental impact.

The applications of benzenebutanoic acid, 2-hydroxy- span across multiple sectors. In the pharmaceutical industry, it serves as an intermediate in the synthesis of antibiotics and anti-inflammatory drugs. For instance, researchers have utilized this compound to develop analogs with improved pharmacokinetic profiles. In the cosmetics sector, it finds use as an ingredient in skincare products due to its antioxidant properties. Additionally, it has been investigated for its potential as a precursor in the production of bio-based plastics and adhesives.

Recent studies have focused on optimizing the synthesis of benzenebutanoic acid, 2-hydroxy- to enhance yield and reduce production costs. Traditional methods involve multi-step reactions with harsh conditions; however, modern approaches leverage catalytic processes and microwave-assisted synthesis to achieve higher efficiency. For example, researchers have reported the use of transition metal catalysts to facilitate coupling reactions involving this compound.

Moreover, the environmental impact of benzenebutanoic acid, 2-hydroxy- has been a topic of interest in sustainability research. Studies have demonstrated that this compound exhibits moderate biodegradability under aerobic conditions, making it a more eco-friendly alternative to traditional petrochemical-based compounds. Efforts are underway to further improve its biodegradability through structural modifications while maintaining its functional integrity.

In conclusion, benzenebutanoic acid, 2-hydroxy- (CAS No. 35387-19-0) stands out as a versatile compound with diverse applications across various industries. Its unique chemical structure and functional groups make it an invaluable tool in organic synthesis and material science. As research continues to uncover new potentials for this compound, its role in driving innovation across multiple sectors is expected to grow significantly.

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