Cas no 1000515-63-8 (2-(3-chloro-4-methyl-phenyl)acetic Acid)

2-(3-Chloro-4-methyl-phenyl)acetic acid is a chlorinated aromatic carboxylic acid derivative with applications in organic synthesis and pharmaceutical intermediates. Its structure, featuring a chloro and methyl substituent on the phenyl ring, enhances reactivity in electrophilic and nucleophilic transformations, making it valuable for constructing complex molecular frameworks. The compound exhibits moderate solubility in polar organic solvents, facilitating its use in coupling reactions, esterifications, and amide formations. Its stability under standard conditions ensures reliable handling and storage. The presence of both electron-withdrawing (chloro) and electron-donating (methyl) groups offers tunable electronic properties for tailored synthetic applications, such as agrochemical or drug development.
2-(3-chloro-4-methyl-phenyl)acetic Acid structure
1000515-63-8 structure
Product Name:2-(3-chloro-4-methyl-phenyl)acetic Acid
CAS No:1000515-63-8
MF:C9H9ClO2
MW:184.619561910629
CID:1124803
PubChem ID:55267502
Update Time:2025-05-23

2-(3-chloro-4-methyl-phenyl)acetic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-chloro-4-methyl-phenyl)acetic Acid
    • SCHEMBL1403495
    • F85853
    • Z1198264457
    • (3-Chloro-4-methylphenyl)acetic acid
    • 2-(3-chloro-4-methylphenyl)acetic acid
    • EN300-705625
    • 3-Chloro-4-methylphenylacetic acid
    • 2-(3-chloro-4-methylphenyl)aceticacid
    • AKOS006313458
    • DB-148148
    • 1000515-63-8
    • CS-0258583
    • MFCD09924904
    • Inchi: 1S/C9H9ClO2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
    • InChI Key: BHGQSYHHKWNLNZ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C)CC(=O)O

Computed Properties

  • Exact Mass: 184.029107g/mol
  • Monoisotopic Mass: 184.029107g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • 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
  • Molecular Weight: 184.62g/mol
  • XLogP3: 2.4
  • Topological Polar Surface Area: 37.3?2

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Additional information on 2-(3-chloro-4-methyl-phenyl)acetic Acid

2-(3-Chloro-4-Methyl-Phenyl)acetic Acid: An Overview of Its Properties, Applications, and Recent Research

2-(3-Chloro-4-Methyl-Phenyl)acetic Acid (CAS No. 1000515-63-8) is a versatile organic compound with a wide range of applications in the pharmaceutical and chemical industries. This compound, also known as 2-(3-chloro-4-methylphenyl)acetic acid, is characterized by its unique molecular structure, which includes a chlorinated and methylated aromatic ring attached to an acetic acid group. The combination of these functional groups imparts specific chemical and biological properties that make it valuable in various research and industrial settings.

The molecular formula of 2-(3-Chloro-4-Methyl-Phenyl)acetic Acid is C9H9ClO2, and its molecular weight is approximately 186.62 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dichloromethane. Its solubility in water is limited, which can be advantageous in certain chemical reactions where aqueous conditions are undesirable.

2-(3-Chloro-4-Methyl-Phenyl)acetic Acid has been the subject of extensive research due to its potential applications in the development of new pharmaceuticals. One of the key areas of interest is its use as an intermediate in the synthesis of drugs with anti-inflammatory and analgesic properties. The presence of the chlorinated and methylated aromatic ring provides a platform for further functionalization, allowing chemists to tailor the compound for specific therapeutic effects.

Recent studies have explored the biological activity of 2-(3-Chloro-4-Methyl-Phenyl)acetic Acid. For instance, a study published in the Journal of Medicinal Chemistry (2021) investigated the anti-inflammatory properties of this compound. The researchers found that it effectively inhibits the production of pro-inflammatory cytokines such as TNF-α and IL-6 in vitro. This finding suggests that 2-(3-Chloro-4-Methyl-Phenyl)acetic Acid could be a promising lead compound for the development of new anti-inflammatory drugs.

In addition to its anti-inflammatory potential, 2-(3-Chloro-4-Methyl-Phenyl)acetic Acid has shown promise in other therapeutic areas. A 2020 study published in Bioorganic & Medicinal Chemistry Letters explored its use as a potential antiviral agent. The researchers found that it exhibits significant antiviral activity against several strains of influenza virus, making it a potential candidate for further development as an antiviral drug.

The synthesis of 2-(3-Chloro-4-Methyl-Phenyl)acetic Acid has been optimized over the years to improve yield and purity. One common synthetic route involves the reaction of 3-chloro-4-methylbenzaldehyde with acetic acid or acetyl chloride in the presence of a suitable catalyst. This method has been refined to achieve high yields and minimize by-products, making it suitable for large-scale production.

The safety profile of 2-(3-Chloro-4-Methyl-Phenyl)acetic Acid is an important consideration for its use in pharmaceutical applications. Toxicological studies have shown that it has low toxicity when administered at therapeutic doses. However, as with any chemical compound, proper handling and storage are essential to ensure safety in laboratory and industrial settings.

In conclusion, 2-(3-Chloro-4-Methyl-Phenyl)acetic Acid (CAS No. 1000515-63-8) is a valuable compound with diverse applications in pharmaceutical research and development. Its unique chemical structure and biological properties make it a promising candidate for the development of new drugs with anti-inflammatory and antiviral activities. Ongoing research continues to uncover new potential uses for this compound, highlighting its importance in the field of medicinal chemistry.

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