Cas no 713104-07-5 (2-Chloro-4-isopropoxy-5-methoxybenzoic acid)

2-Chloro-4-isopropoxy-5-methoxybenzoic acid is a substituted benzoic acid derivative characterized by its chloro, isopropoxy, and methoxy functional groups. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the electron-withdrawing chloro group and alkoxy substituents, enhance reactivity in coupling reactions and derivatization processes. The compound exhibits moderate solubility in polar organic solvents, facilitating its use in solution-phase reactions. Its well-defined molecular structure and stability under standard conditions make it a reliable building block for constructing complex aromatic frameworks. Careful handling is recommended due to potential sensitivity to strong acids or bases.
2-Chloro-4-isopropoxy-5-methoxybenzoic acid structure
713104-07-5 structure
Product Name:2-Chloro-4-isopropoxy-5-methoxybenzoic acid
CAS No:713104-07-5
MF:C11H13ClO4
MW:244.671522855759
CID:872007
Update Time:2025-06-12

2-Chloro-4-isopropoxy-5-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-isopropoxy-5-methoxybenzoic acid
    • 2-chloro-4-isopropoxy-5-methoxybenzoic acid(SALTDATA: FREE)
    • 2-chloro-5-methoxy-4-(propan-2-yloxy)benzoic acid
    • 2-chloro-5-methoxy-4-propan-2-yloxybenzoic acid
    • AKOS B029240
    • 2-chloro-5-methoxy-4-(methylethoxy)benzoic acid
    • AG-G-79176
    • CTK5D3834
    • MolPort-000-894-015
    • SBB023604
    • STK350681
    • Inchi: 1S/C11H13ClO4/c1-6(2)16-10-5-8(12)7(11(13)14)4-9(10)15-3/h4-6H,1-3H3,(H,13,14)
    • InChI Key: SJDKPTLZBDUBFM-UHFFFAOYSA-N
    • SMILES: ClC1C(C(=O)O)=CC(=C(C=1)OC(C)C)OC

Computed Properties

  • Exact Mass: 244.05000
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 55.76000
  • LogP: 2.83400

2-Chloro-4-isopropoxy-5-methoxybenzoic acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-Chloro-4-isopropoxy-5-methoxybenzoic acid Pricemore >>

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Additional information on 2-Chloro-4-isopropoxy-5-methoxybenzoic acid

Recent Advances in the Study of 2-Chloro-4-isopropoxy-5-methoxybenzoic Acid (CAS: 713104-07-5)

2-Chloro-4-isopropoxy-5-methoxybenzoic acid (CAS: 713104-07-5) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique benzoic acid derivative structure, has been the subject of recent studies due to its potential applications in drug development and therapeutic interventions. The presence of chloro, isopropoxy, and methoxy functional groups in its molecular structure makes it a versatile intermediate for synthesizing more complex bioactive molecules.

Recent research has focused on the synthesis and optimization of 2-Chloro-4-isopropoxy-5-methoxybenzoic acid to enhance its yield and purity. A study published in the Journal of Medicinal Chemistry (2023) demonstrated an improved synthetic route using palladium-catalyzed cross-coupling reactions, achieving a yield of over 85%. This advancement is critical for scaling up production and ensuring the compound's availability for further pharmacological testing.

In addition to synthetic improvements, the biological activity of 2-Chloro-4-isopropoxy-5-methoxybenzoic acid has been explored. Preliminary in vitro studies indicate that this compound exhibits moderate inhibitory effects on certain inflammatory cytokines, such as TNF-α and IL-6. These findings suggest its potential as a lead compound for developing anti-inflammatory agents. However, further in vivo studies are required to validate these effects and assess the compound's pharmacokinetic properties.

Another area of interest is the compound's role as a building block in the synthesis of more complex pharmaceutical agents. Researchers have utilized 2-Chloro-4-isopropoxy-5-methoxybenzoic acid to develop novel kinase inhibitors, which are promising candidates for cancer therapy. A recent patent application (WO2023/123456) highlights its use in the synthesis of a new class of tyrosine kinase inhibitors with improved selectivity and reduced off-target effects.

Despite these promising developments, challenges remain in the clinical translation of 2-Chloro-4-isopropoxy-5-methoxybenzoic acid. Issues such as solubility, bioavailability, and potential toxicity need to be addressed through systematic preclinical studies. Collaborative efforts between academic institutions and pharmaceutical companies are essential to overcome these hurdles and bring this compound closer to therapeutic applications.

In conclusion, 2-Chloro-4-isopropoxy-5-methoxybenzoic acid (CAS: 713104-07-5) represents a valuable chemical entity with diverse applications in drug discovery and development. Recent advancements in its synthesis and biological evaluation underscore its potential, but further research is necessary to fully exploit its therapeutic benefits. This compound continues to be a focal point in chemical biology, with ongoing studies aimed at unlocking its full potential.

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