Cas no 64798-35-2 (2-(3-Chlorophenyl)-2-methylpropanoic acid)

2-(3-Chlorophenyl)-2-methylpropanoic acid is a chlorinated aromatic carboxylic acid derivative characterized by its stable branched alkyl structure. The presence of the 3-chlorophenyl group enhances its reactivity in synthetic applications, particularly in pharmaceutical and agrochemical intermediates. Its methyl-substituted propanoic acid moiety contributes to steric hindrance, influencing selectivity in coupling reactions. This compound is valued for its utility in the synthesis of fine chemicals, where its structural features enable precise functionalization. High purity grades are available to meet rigorous research and industrial standards. Proper handling is recommended due to its potential irritant properties. Storage under inert conditions ensures long-term stability.
2-(3-Chlorophenyl)-2-methylpropanoic acid structure
64798-35-2 structure
Product Name:2-(3-Chlorophenyl)-2-methylpropanoic acid
CAS No:64798-35-2
MF:C10H11ClO2
MW:198.646142244339
MDL:MFCD11036925
CID:1079566
PubChem ID:15582644
Update Time:2025-09-28

2-(3-Chlorophenyl)-2-methylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Chlorophenyl)-2-methylpropanoic acid
    • MDL: MFCD11036925
    • Inchi: 1S/C10H11ClO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
    • InChI Key: SFXNGYPSARMRKU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C(C(=O)O)(C)C

Computed Properties

  • Exact Mass: 198.04500
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 37.30000
  • LogP: 2.70220

2-(3-Chlorophenyl)-2-methylpropanoic acid Security Information

  • HazardClass:IRRITANT

2-(3-Chlorophenyl)-2-methylpropanoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-(3-Chlorophenyl)-2-methylpropanoic acid Pricemore >>

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2-(3-Chlorophenyl)-2-methylpropanoic acid Production Method

2-(3-Chlorophenyl)-2-methylpropanoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:64798-35-2)2-(3-Chlorophenyl)-2-methylpropanoic acid
Order Number:A854136
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:48
Price ($):498.0

2-(3-Chlorophenyl)-2-methylpropanoic acid Related Literature

Additional information on 2-(3-Chlorophenyl)-2-methylpropanoic acid

2-(3-Chlorophenyl)-2-methylpropanoic Acid (CAS No. 64798-35-2): Properties, Applications, and Market Insights

2-(3-Chlorophenyl)-2-methylpropanoic acid (CAS No. 64798-35-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This white crystalline powder belongs to the class of arylpropionic acid derivatives, a group known for its diverse biological activities and industrial applications. With the growing interest in chiral compounds and pharmaceutical intermediates, this chemical has become increasingly relevant in modern synthetic chemistry.

The molecular structure of 2-(3-Chlorophenyl)-2-methylpropanoic acid features a chlorophenyl group attached to a branched carboxylic acid moiety, giving it unique physicochemical properties. It has a molecular weight of 198.65 g/mol and typically appears as fine crystals with a melting point range of 120-125°C. The presence of both aromatic and aliphatic components in its structure makes it particularly interesting for researchers exploring structure-activity relationships in drug development.

In pharmaceutical applications, 2-(3-Chlorophenyl)-2-methylpropanoic acid serves as a valuable building block for the synthesis of various active pharmaceutical ingredients (APIs). Its structural features make it particularly useful in creating non-steroidal anti-inflammatory drugs (NSAIDs) analogs, where researchers are investigating novel compounds with improved efficacy and reduced side effects. The compound's chiral center also makes it relevant for studies in asymmetric synthesis, a hot topic in modern medicinal chemistry.

Recent trends in green chemistry have spurred interest in more sustainable production methods for compounds like 2-(3-Chlorophenyl)-2-methylpropanoic acid. Researchers are exploring catalytic processes and biocatalytic routes to synthesize this intermediate with higher atom economy and lower environmental impact. These developments align with the pharmaceutical industry's push toward sustainable manufacturing practices, addressing common search queries about eco-friendly chemical synthesis.

The global market for 2-(3-Chlorophenyl)-2-methylpropanoic acid has shown steady growth, driven by increasing demand from the pharmaceutical sector and contract research organizations. Market analysts note particular interest from regions with strong generic drug manufacturing capabilities, as this intermediate finds use in various therapeutic categories. Quality standards for this compound typically require high purity levels (>98%), with strict control of residual solvents and heavy metal content to meet pharmaceutical-grade specifications.

Analytical characterization of 2-(3-Chlorophenyl)-2-methylpropanoic acid typically involves techniques such as HPLC analysis, mass spectrometry, and NMR spectroscopy. These methods are crucial for verifying identity, purity, and stability - key concerns for researchers who frequently search for compound characterization methods. The compound shows good stability under standard storage conditions (room temperature, protected from moisture), though prolonged exposure to strong light or extreme temperatures should be avoided.

In research applications, 2-(3-Chlorophenyl)-2-methylpropanoic acid has been investigated for its potential in creating molecular probes and bioconjugates. Its carboxylic acid functionality allows for straightforward derivatization, making it useful in chemical biology studies. This aligns with current scientific trends toward targeted drug delivery systems and precision medicine approaches, topics that generate significant search volume in scientific databases.

Safety considerations for handling 2-(3-Chlorophenyl)-2-methylpropanoic acid include standard laboratory precautions - wearing appropriate personal protective equipment and working in well-ventilated areas. While not classified as highly hazardous, proper handling procedures should be followed, as with all fine chemicals. These safety aspects are frequently searched by laboratory professionals and students new to working with organic compounds.

The synthesis of 2-(3-Chlorophenyl)-2-methylpropanoic acid typically involves Friedel-Crafts acylation followed by various functional group transformations. Recent patent literature reveals ongoing optimization of these synthetic routes, particularly focusing on improving yield and stereoselectivity. Process chemists often search for alternative synthetic pathways to such intermediates, reflecting the compound's industrial importance.

Looking forward, 2-(3-Chlorophenyl)-2-methylpropanoic acid is expected to maintain its relevance in pharmaceutical research, particularly as interest grows in structural analogs of established drugs. The compound's versatility as a synthetic intermediate positions it well for future applications in drug discovery and medicinal chemistry programs. Its role in developing potential treatments for inflammatory conditions continues to be an area of active investigation, connecting to widespread public interest in new therapeutic options for chronic diseases.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:64798-35-2)2-(3-Chlorophenyl)-2-methylpropanoic acid
A854136
Purity:99%
Quantity:5g
Price ($):498.0
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