Cas no 208986-50-9 (3-Benzyloxy-2-methyl-benzoic acid)

3-Benzyloxy-2-methyl-benzoic acid is a benzoic acid derivative featuring a benzyloxy substituent at the 3-position and a methyl group at the 2-position. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the electron-donating benzyloxy group and the sterically influencing methyl group, make it a versatile building block for constructing more complex molecules. The compound exhibits moderate solubility in organic solvents, facilitating its use in various reaction conditions. Its stability under standard laboratory conditions ensures reliable handling and storage.
3-Benzyloxy-2-methyl-benzoic acid structure
208986-50-9 structure
Product Name:3-Benzyloxy-2-methyl-benzoic acid
CAS No:208986-50-9
MF:C15H14O3
MW:242.269864559174
MDL:MFCD22041842
CID:2152153
Update Time:2025-11-02

3-Benzyloxy-2-methyl-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-benzyloxy-2-methyl-benzoic acid
    • 3-(benzyloxy)-2-methylbenzoic acid
    • 3-benzyloxy-2-methylbenzoic acid
    • XPDKUZUJUNYCBE-UHFFFAOYSA-N
    • 3-Benzyloxy-2-methyl-benzoic acid
    • MDL: MFCD22041842
    • Inchi: 1S/C15H14O3/c1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,17)
    • InChI Key: XPDKUZUJUNYCBE-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC=C(C(=O)O)C=1C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 271
  • Topological Polar Surface Area: 46.5

3-Benzyloxy-2-methyl-benzoic acid Pricemore >>

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Additional information on 3-Benzyloxy-2-methyl-benzoic acid

3-Benzyloxy-2-methyl-benzoic Acid (CAS 208986-50-9): Properties, Applications, and Market Insights

3-Benzyloxy-2-methyl-benzoic acid (CAS 208986-50-9) is a specialized organic compound with growing interest in pharmaceutical and chemical research. This benzoic acid derivative features a unique molecular structure combining a benzyloxy group at the 3-position and a methyl group at the 2-position of the aromatic ring. Its chemical formula C15H14O3 and molecular weight of 242.27 g/mol make it valuable for various synthetic applications.

The compound's physical properties include a white to off-white crystalline appearance with typical solubility in organic solvents like ethanol, methanol, and dimethyl sulfoxide (DMSO). Researchers value its thermal stability, with decomposition temperatures above 200°C, making it suitable for various reaction conditions. Recent studies highlight its potential as a building block in medicinal chemistry, particularly for developing novel anti-inflammatory and antimicrobial agents.

In pharmaceutical applications, 3-Benzyloxy-2-methyl-benzoic acid serves as a crucial intermediate for synthesizing more complex molecules. Its structural features allow for diverse modifications, enabling medicinal chemists to create targeted drug candidates. The compound's benzyl-protected hydroxyl group offers synthetic flexibility, while the methyl group provides steric influence that can affect biological activity.

The chemical industry shows increasing demand for high-purity 3-Benzyloxy-2-methyl-benzoic acid, driven by its applications in: drug discovery programs, material science research, and specialty chemical production. Manufacturers now offer custom synthesis services and various purity grades (98%, 99%, and HPLC grade) to meet different research needs. Current market analysis suggests steady growth in the fine chemicals sector, with this compound gaining attention.

Recent advancements in green chemistry have influenced production methods for 3-Benzyloxy-2-methyl-benzoic acid derivatives. Researchers are developing more sustainable synthesis routes using catalytic processes and eco-friendly solvents, addressing industry demands for environmentally conscious production. These innovations align with global trends toward sustainable pharmaceutical manufacturing.

Quality control for CAS 208986-50-9 involves rigorous analytical techniques including HPLC analysis, mass spectrometry, and NMR spectroscopy. Reputable suppliers provide comprehensive certificates of analysis and material safety data sheets, ensuring researchers can verify purity and handle the material properly. Storage recommendations typically suggest cool, dry conditions in airtight containers to maintain stability.

The scientific literature reveals growing interest in structure-activity relationships of 2-methyl-benzoic acid derivatives. Researchers are investigating how modifications to the benzyloxy group affect biological properties, potentially leading to new therapeutic applications. These studies contribute to understanding molecular interactions in drug design and biochemical pathways.

For laboratories working with 3-Benzyloxy-2-methyl-benzoic acid, proper handling procedures include using appropriate personal protective equipment and working in well-ventilated areas. While not classified as hazardous under standard conditions, prudent laboratory practices should always be followed when handling any chemical substance.

Future research directions for CAS 208986-50-9 may explore its potential in advanced material synthesis and bioconjugation chemistry. The compound's versatile structure makes it suitable for creating functionalized polymers and specialty coatings with unique properties. Additionally, its application in metal-organic frameworks (MOFs) represents an emerging area of investigation.

When sourcing 3-Benzyloxy-2-methyl-benzoic acid, researchers should consider suppliers with demonstrated expertise in fine chemical manufacturing and custom synthesis capabilities. Key purchasing factors include batch-to-batch consistency, technical support availability, and regulatory compliance. The global market offers both standard catalog products and made-to-order quantities to accommodate different project scales.

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