Cas no 2525-02-2 (4-propylbenzene-1,2-diol)

4-Propylbenzene-1,2-diol is a versatile organic compound with distinct hydroxyl groups. It exhibits excellent solubility in various organic solvents, making it ideal for applications in chemical synthesis. Its structural features contribute to its stability and reactivity, facilitating its use in pharmaceutical, agrochemical, and fine chemical industries. The compound's unique properties make it a valuable intermediate for the production of advanced materials and specialty chemicals.
4-propylbenzene-1,2-diol structure
4-propylbenzene-1,2-diol structure
Product Name:4-propylbenzene-1,2-diol
CAS No:2525-02-2
MF:C9H12O2
MW:152.190382957458
MDL:MFCD00870985
CID:273591
PubChem ID:97638
Update Time:2025-06-20

4-propylbenzene-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol,4-propyl-
    • 1,2-dihydroxy-4-propylbenzene
    • 3',4'-dihydroxypropylbenzene
    • 4-n-propylcatechol
    • 4-propyl-1,2-benzenediol
    • 4-propyl-benzene-1,2-diol
    • 4-Propylcatechol
    • AC1L3YXI
    • AC1Q7ACV
    • AR-1G4492
    • CTK4F5305
    • SureCN57143
    • 4-propylbenzene-1,2-diol
    • NSC-138937
    • UNII-GY7REF7DMB
    • 4-propylbenzene-1, 2-diol
    • GY7REF7DMB
    • CS-0162583
    • AKOS006273177
    • 1,2-Benzenediol, 4-propyl-
    • D80321
    • 4-propyl-2-hydroxyphenol
    • AMY18785
    • SY287842
    • LS-13648
    • 4-propyl-1,2- benzenediol
    • 4-propyl catechol
    • DTXSID60179903
    • SCHEMBL57143
    • SCTPZNJTGOGSQD-UHFFFAOYSA-N
    • NSC 138937
    • MFCD00870985
    • NSC138937
    • EN300-1599525
    • 2525-02-2
    • 2-hydroxy-4-propylphenol
    • MDL: MFCD00870985
    • Inchi: 1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6,10-11H,2-3H2,1H3
    • InChI Key: SCTPZNJTGOGSQD-UHFFFAOYSA-N
    • SMILES: OC1=C(C=CC(=C1)CCC)O

Computed Properties

  • Exact Mass: 152.08376
  • Monoisotopic Mass: 152.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 114
  • 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: 2.4
  • Topological Polar Surface Area: 40.5A^2

Experimental Properties

  • Density: 1.1000
  • Melting Point: 60°C
  • Boiling Point: 234.66°C (rough estimate)
  • Flash Point: 138.9°C
  • Refractive Index: 1.4440 (estimate)
  • PSA: 40.46
  • LogP: 2.05030
  • Solubility: Soluble in ethanol, ether, acetone.

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4-propylbenzene-1,2-diol Production Method

Production Method 1

Reaction Conditions
1.1C:5970-45-6, 16 h, 50°C
2.1S:96-47-9, 16 h, 25°C
Reference
Carbamate Synthesis Using a Shelf-Stable and Renewable C1 Reactant
By Dobi, Zoltan et al, ChemSusChem, 2019, 12(13), 3103-3114

4-propylbenzene-1,2-diol Raw materials

4-propylbenzene-1,2-diol Preparation Products

4-propylbenzene-1,2-diol Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:2525-02-2)4-propylbenzene-1,2-diol
Order Number:A1146499
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 23:04
Price ($):392.0

4-propylbenzene-1,2-diol Related Literature

Additional information on 4-propylbenzene-1,2-diol

Chemical Profile of 4-propylbenzene-1,2-diol (CAS No: 2525-02-2)

4-propylbenzene-1,2-diol, identified by its Chemical Abstracts Service (CAS) number 2525-02-2, is a significant organic compound with a molecular structure that combines a propyl group with a benzene ring substituted at the 1 and 2 positions by hydroxyl groups. This compound has garnered attention in the chemical and pharmaceutical research communities due to its unique structural properties and potential applications in synthetic chemistry and drug development.

The molecular formula of 4-propylbenzene-1,2-diol is C?H??O?, reflecting its composition of nine carbon atoms, twelve hydrogen atoms, and two oxygen atoms. The presence of two hydroxyl (-OH) functional groups at the ortho positions (1 and 2) relative to the propyl substituent introduces a high degree of reactivity, making it a valuable intermediate in organic synthesis. The compound’s aromatic backbone further enhances its utility in various chemical transformations.

In recent years, 4-propylbenzene-1,2-diol has been studied for its role in the synthesis of complex organic molecules. Its dihydroxy functionality allows for further derivatization into esters, ethers, or other heterocyclic compounds, which are crucial in pharmaceutical applications. Researchers have explored its potential as a precursor in the development of novel therapeutic agents, particularly those targeting metabolic pathways or inflammatory responses.

One of the most compelling aspects of 4-propylbenzene-1,2-diol is its versatility in serving as a building block for more intricate chemical structures. The combination of the propyl group’s alkylating properties with the hydroxyl groups’ ability to engage in hydrogen bonding or form esters provides a rich palette for synthetic chemists. This has led to investigations into its use in constructing biologically active molecules, including potential candidates for antimicrobial or anti-inflammatory treatments.

The synthesis of 4-propylbenzene-1,2-diol typically involves catalytic hydrogenation or oxidation processes starting from propyl-substituted benzene derivatives. Advanced synthetic methodologies have been developed to optimize yield and purity, ensuring that researchers can obtain high-quality material for their studies. These methods often leverage transition metal catalysts or enzymatic approaches to achieve selective functionalization at the desired positions on the benzene ring.

Recent studies have highlighted the compound’s relevance in medicinal chemistry. For instance, derivatives of 4-propylbenzene-1,2-diol have been investigated for their interactions with biological targets such as enzymes or receptors. The hydroxyl groups provide multiple sites for covalent binding or non-covalent interactions, which can modulate biological activity. This has sparked interest in exploring its potential as an scaffold for drug discovery programs aimed at treating neurological disorders or cardiovascular diseases.

The chemical stability of 4-propylbenzene-1,2-diol under various conditions is another area of focus. Researchers have examined its behavior under different pH levels, temperatures, and solvent systems to understand how these factors influence its reactivity and shelf life. Such insights are critical for industrial applications where maintaining product integrity is paramount. Additionally, spectroscopic techniques such as NMR and mass spectrometry have been employed to elucidate its structure and monitor reaction progress.

In industrial settings, 4-propylbenzene-1,2-diol may be utilized in large-scale processes where precision and efficiency are key. Its role as an intermediate could streamline the production of fine chemicals or pharmaceuticals by providing a reliable starting material with well-defined properties. The demand for such compounds often increases with advancements in synthetic chemistry techniques that enable more efficient and sustainable manufacturing practices.

The environmental impact of producing and handling 4-propylbenzene-1,2-diol is also a consideration in modern research. Efforts have been made to develop greener synthetic routes that minimize waste and reduce energy consumption. These approaches align with broader trends in sustainable chemistry aimed at reducing the ecological footprint of chemical production while maintaining high standards of quality and performance.

Future research directions may explore novel derivatives of 4-propylbenzene-1,2-diol that exhibit enhanced biological activity or improved pharmacokinetic profiles. By modifying substituents or introducing additional functional groups, scientists could uncover new therapeutic possibilities. Collaborative efforts between academic institutions and pharmaceutical companies will likely drive these investigations forward as they seek innovative solutions to global health challenges.

In conclusion,4-propylbenzene-1,2-diol (CAS No: 2525-02-2) represents a fascinating compound with diverse applications across synthetic chemistry and drug development。 Its unique structural features offer opportunities for creating novel molecules with significant biological potential。 As research continues to uncover new methodologies and applications, this compound is poised to remain an important tool in the chemist’s arsenal。

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2525-02-2)4-propylbenzene-1,2-diol
A1146499
Purity:99%
Quantity:5g
Price ($):392.0
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