Cas no 39221-42-6 (2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid)

2-(1-Oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid is a heterocyclic compound featuring an isoindolinone core with an acetic acid substituent. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research. The compound serves as a valuable intermediate for the development of bioactive molecules due to its reactive functional groups, enabling further derivatization. Its rigid isoindolinone scaffold contributes to enhanced stability and potential binding affinity in target interactions. The presence of the carboxylic acid moiety allows for straightforward modifications, facilitating conjugation or salt formation. This compound is suitable for use in medicinal chemistry, where its structural features support the design of novel therapeutic agents.
2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid structure
39221-42-6 structure
Product Name:2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
CAS No:39221-42-6
MF:C10H9NO3
MW:191.183362722397
MDL:MFCD00664645
CID:317342
PubChem ID:771115
Update Time:2025-10-30

2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(1-Oxoisoindolin-2-yl)acetic acid
    • (1-Oxo-1,3-dihydro-isoindol-2-yl)-acetic acid
    • 2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid
    • 2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-acetic acid
    • 2H-Isoindole-2-aceticacid, 1,3-dihydro-1-oxo-
    • 2-(3-oxo-1H-isoindol-2-yl)acetic acid
    • 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
    • FT-0603885
    • CCG-202960
    • SCHEMBL311850
    • HMS1366A22
    • Z442320966
    • Bionet2_000726
    • J-505398
    • FPVHLXPCDHFPPN-UHFFFAOYSA-N
    • 8L-019
    • SY062768
    • AMY21523
    • EU-0063005
    • F1962-0002
    • EN300-70527
    • (1-oxo-1,3-dihydro-isoindol-2-yl)-acetic acid, AldrichCPR
    • 2-(1-Oxoisoindolin-2-yl)aceticacid
    • (1-oxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid
    • AKOS000275047
    • 2-(1-Oxo-2-isoindolinyl)acetic Acid
    • A18724
    • 2h-isoindole-2-acetic acid, 1,3-dihydro-1-oxo-
    • SB64218
    • BB 0216378
    • Oprea1_477861
    • CS-0054203
    • (1-Oxoisoindolin-2-yl)acetic acid
    • DTXSID10354384
    • 39221-42-6
    • 1,3-dhydro-1-oxo-2h-isoindole-2-acetic acid
    • MFCD00664645
    • Oprea1_694365
    • STK732047
    • DB-016247
    • doi:10.14272/FPVHLXPCDHFPPN-UHFFFAOYSA-N.1
    • ALBB-015647
    • BBL012194
    • MDL: MFCD00664645
    • Inchi: 1S/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13)
    • InChI Key: FPVHLXPCDHFPPN-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2CN1CC(=O)O

Computed Properties

  • Exact Mass: 191.05800
  • Monoisotopic Mass: 190.050418
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 259
  • 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: 1.2
  • Topological Polar Surface Area: 60.4

Experimental Properties

  • Density: 1.382
  • Melting Point: Not available
  • Boiling Point: 439.8°Cat760mmHg
  • Flash Point: 219.8°C
  • PSA: 57.61000
  • LogP: 0.66490
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid Security Information

2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). 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

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid Suppliers

Amadis Chemical Company Limited
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(CAS:39221-42-6)2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
Order Number:A18724
Stock Status:in Stock
Quantity:5g/10g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:01
Price ($):165.0/279.0

Additional information on 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid

Comprehensive Overview of 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid (CAS No. 39221-42-6)

2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid, with the CAS number 39221-42-6, is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, often referred to by its systematic name, belongs to the class of isoindole derivatives, which are known for their diverse biological activities. The increasing interest in this molecule stems from its potential applications in drug development, particularly in targeting enzymes and receptors involved in inflammatory and metabolic pathways.

The structural uniqueness of 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid lies in its fused bicyclic framework, combining an isoindole core with an acetic acid side chain. This configuration allows for versatile chemical modifications, making it a valuable intermediate in synthetic chemistry. Researchers are particularly intrigued by its role as a precursor in the synthesis of more complex molecules, such as small-molecule inhibitors and peptide mimetics, which are pivotal in modern drug discovery.

In recent years, the demand for CAS 39221-42-6 has surged due to its relevance in addressing contemporary health challenges. For instance, its potential as a anti-inflammatory agent aligns with the growing focus on chronic diseases like arthritis and autoimmune disorders. Additionally, its metabolic modulation properties have sparked interest in obesity and diabetes research, areas that dominate current biomedical discussions. These applications are frequently searched in academic and industrial databases, reflecting the compound's prominence in cutting-edge science.

From a synthetic perspective, 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid is often synthesized via cyclization reactions involving phthalimide derivatives. The process typically employs mild conditions, ensuring high yields and scalability—a critical factor for industrial applications. Analytical techniques such as NMR spectroscopy and mass spectrometry are routinely used to confirm its purity and structural integrity, which are essential for reproducibility in research settings.

The compound's stability under physiological conditions further enhances its appeal. Studies have shown that 39221-42-6 exhibits favorable pharmacokinetic properties, including moderate solubility and bioavailability, which are crucial for in vivo applications. This has led to its inclusion in high-throughput screening libraries, where it serves as a hit candidate for novel therapeutic targets. Such attributes make it a recurring subject in drug design forums and patent filings.

Beyond pharmaceuticals, 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid has found niche applications in material science. Its ability to form stable complexes with metal ions has been explored in the development of functional polymers and catalysts. This interdisciplinary utility underscores its versatility and aligns with the trend toward green chemistry, where multifunctional compounds are prized for reducing waste and energy consumption.

In summary, CAS 39221-42-6 represents a compelling case study in the intersection of chemistry and biology. Its structural elegance, coupled with broad applicability, positions it as a molecule of enduring interest. As research continues to unravel its full potential, this compound is poised to remain a staple in both academic and industrial laboratories, addressing some of the most pressing questions in healthcare innovation and sustainable technology.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:39221-42-6)2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
A18724
Purity:99%/99%
Quantity:5g/10g
Price ($):165.0/279.0
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