Cas no 67822-75-7 (2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid)

2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid is a specialized organic compound featuring a benzyl-substituted isoindoline core with a carboxylic acid functional group. Its structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic frameworks. The presence of both the benzyl and carboxyl groups enhances its reactivity, enabling versatile derivatization for applications in drug discovery and material science. This compound exhibits stability under standard conditions, facilitating handling and storage. Its precise molecular architecture allows for selective modifications, making it useful in the development of bioactive molecules or functional materials. High purity grades ensure consistent performance in synthetic workflows.
2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid structure
67822-75-7 structure
Product Name:2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid
CAS No:67822-75-7
MF:C16H11NO4
MW:281.262844324112
MDL:MFCD00411831
CID:880322
PubChem ID:748193
Update Time:2025-05-19

2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • &nbsp
    • 2-Benzyl-1,3-dioxoisoindoline-5-carboxylic acid
    • 1H-isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-(phenylmethyl)-
    • HMS1373G03
    • CHEMBL1328975
    • NSC-798905
    • CS-0205954
    • Oprea1_820697
    • ChemDiv2_001543
    • EU-0082503
    • HMS2414I19
    • AKOS000118544
    • Oprea1_430972
    • SCHEMBL5010573
    • F15551
    • 2-BENZYL-1,3-DIOXOISOINDOLINE-5-CARBOXYLICACID
    • FT-0683986
    • SB65598
    • EN300-09625
    • 67822-75-7
    • 2-benzyl-1,3-dioxo-5-isoindolinecarboxylic acid
    • CBDivE_003394
    • MFCD00411831
    • 2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
    • AG-205/32651041
    • 2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
    • Z56989569
    • NSC798905
    • SMR000069077
    • MLS000058811
    • VS-01018
    • AMY41596
    • BDBM50589132
    • A867185
    • STK248743
    • BBL002102
    • 2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid
    • MDL： MFCD00411831
    • Inchi： 1S/C16H11NO4/c18-14-12-7-6-11(16(20)21)8-13(12)15(19)17(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)
    • InChI Key： KGHOAEZOEVGKMU-UHFFFAOYSA-N
    • SMILES： O=C1C2C=C(C(=O)O)C=CC=2C(N1CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 281.06883
  • Monoisotopic Mass: 281.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 455
  • 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: 1.9
  • Topological Polar Surface Area: 74.7?2

Experimental Properties

  • PSA: 74.68

2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid Security Information

  • HazardClass：IRRITANT

2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid Pricemore >>

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2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:67822-75-7)2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid
Order Number:A867185
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:03
Price ($):163.0

2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid Related Literature

Additional information on 2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid

Introduction to 2-Benzyl-1,3-Dioxoisoindoline-5-Carboxylic Acid (CAS No 67822-75-7)

2-Benzyl-1,3-dioxoisoindoline-5-carboxylic acid, identified by the CAS registry number CAS No 67822-75-7, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of isoindolines, which are known for their structural versatility and potential biological activities. The molecule features a benzyl group attached to the isoindoline core, along with a carboxylic acid moiety, making it a valuable substrate for further functionalization and exploration in drug discovery.

The synthesis of 2-Benzyl-1,3-dioxoisoindoline-5-carboxylic acid involves a series of well-established organic reactions, including cyclization and oxidation steps. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing the environmental footprint while maintaining high yields. Researchers have also explored the use of microwave-assisted synthesis to accelerate reaction times and improve purity levels.

In terms of applications, this compound has shown promise in various biological assays. Studies have demonstrated its potential as an anti-inflammatory agent, with mechanisms involving inhibition of key enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX). Additionally, it has been investigated for its antioxidant properties, which could be beneficial in combating oxidative stress-related diseases.

Recent research has delved into the structural modifications of CAS No 67822-75-7 to enhance its bioavailability and efficacy. For instance, researchers have explored the incorporation of bioisosteric replacements to improve pharmacokinetic profiles without compromising biological activity. These modifications have led to derivatives that exhibit improved solubility and reduced toxicity in preclinical models.

The pharmacological evaluation of 2-Benzyl-1,3-dioxoisoindoline-5-carboxylic acid has been supported by advanced analytical techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. These tools have provided insights into the compound's molecular interactions and binding affinities with target proteins, paving the way for rational drug design.

In conclusion, CAS No 67822-75-7, or 2-Benzyl-1,3-dioxoisoindoline-5-carboxylic acid, represents a promising lead compound in medicinal chemistry. Its unique structure and versatile functional groups make it an ideal candidate for further exploration in drug development pipelines. As research continues to uncover its full potential, this compound is expected to play a pivotal role in advancing therapeutic interventions for various diseases.

67822-75-7 (2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:67822-75-7)2-Benzyl-1,3-dioxoisoindoline-5-carboxylic Acid
A867185
Purity:99%
Quantity:25g
Price ($):163.0
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