Cas no 106352-01-6 (3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid)

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid is a benzoic acid derivative featuring a phthalimide functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly as a building block for more complex molecules. The presence of both carboxylic acid and imide functionalities allows for selective modifications, making it useful in the development of peptidomimetics, polymer precursors, or bioactive intermediates. Its structural rigidity and potential for hydrogen bonding contribute to its utility in designing compounds with specific binding properties. The product is typically characterized by high purity and stability, ensuring reliable performance in synthetic applications.
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid structure
106352-01-6 structure
Product Name:3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
CAS No:106352-01-6
MF:C16H11NO4
MW:281.262844324112
MDL:MFCD00418210
CID:196499
PubChem ID:554985
Update Time:2025-10-31

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid
    • 3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-BENZOIC ACID
    • 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid
    • 3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
    • 3-Phthalimidomethyl-benzoesaeure
    • 3-phthalimidomethyl-benzoic acid
    • Benzoic acid,3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]
    • m-phthalimidomethylbenzoic acid
    • 3-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]benzoic acid
    • Benzoic acid,3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)Methyl]-
    • 3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid
    • 3-(Phthalimidomethyl)benzoic acid
    • Oprea1_701732
    • MLS001233778
    • ZUWJKVVWOLYFRK-UHFFFAOYSA-N
    • HMS2865A20
    • HMS174
    • AB00724363-01
    • AG-690/33077055
    • A895829
    • CHEMBL1577958
    • 3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-BENZOICACID
    • EN300-06688
    • SCHEMBL1200846
    • AKOS000117643
    • SB66157
    • 106352-01-6
    • HMS1748P22
    • J-510411
    • AS-44818
    • SMR000589174
    • CHEBI:189223
    • CS-0156008
    • EiM08-25398
    • MFCD00418210
    • AB7097
    • DTXSID30339254
    • 3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid #
    • 3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoicacid
    • ALBB-033078
    • STL480946
    • 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
    • MDL: MFCD00418210
    • Inchi: 1S/C16H11NO4/c18-14-12-6-1-2-7-13(12)15(19)17(14)9-10-4-3-5-11(8-10)16(20)21/h1-8H,9H2,(H,20,21)
    • InChI Key: ZUWJKVVWOLYFRK-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(N1CC1C=CC=C(C(=O)O)C=1)=O

Computed Properties

  • Exact Mass: 281.06900
  • Monoisotopic Mass: 280.060983
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 437
  • 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
  • Topological Polar Surface Area: 74.7
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: No data available
  • Density: 1.454
  • Melting Point: No data available
  • Boiling Point: 511.4°C at 760 mmHg
  • Flash Point: 263.1°C
  • PSA: 74.68000
  • LogP: 2.11890
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Security Information

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Customs Data

  • HS CODE:2925190090
  • Customs Data:

    China Customs Code:

    2925190090

    Overview:

    2925190090 Other imides and their derivative salts. 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:

    2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Production Method

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:106352-01-6)3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
Order Number:A895829
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:53
Price ($):150.0

Additional information on 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic Acid: A Comprehensive Overview

The compound with CAS No. 106352-01-6, known as 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid, is a significant molecule in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug development. The benzoic acid moiety forms the core of this molecule, while the isoindole ring system introduces additional functional groups that enhance its chemical reactivity and biological activity.

Recent studies have highlighted the importance of isoindole derivatives in medicinal chemistry. These compounds are known for their ability to modulate various biological pathways, making them promising candidates for the treatment of diseases such as cancer, inflammation, and neurodegenerative disorders. The dioxo-dihydroisoindole group in this compound adds a layer of complexity to its structure, potentially enhancing its bioavailability and target specificity.

One of the most notable aspects of 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid is its role in enzyme inhibition. Researchers have demonstrated that this compound exhibits potent inhibitory activity against key enzymes involved in cellular signaling pathways. For instance, it has been shown to inhibit the activity of cyclin-dependent kinases (CDKs), which are critical regulators of cell cycle progression. This property makes it a valuable tool in the development of anticancer therapies.

In addition to its enzymatic activity, this compound has also been studied for its potential as a scaffold for drug design. The benzoic acid group provides a platform for further functionalization, allowing chemists to explore a wide range of substituents that could enhance its therapeutic potential. Recent advancements in computational chemistry have enabled researchers to predict the binding affinities of this compound to various protein targets, further accelerating its development as a drug candidate.

The synthesis of 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid involves a multi-step process that combines principles from both organic and medicinal chemistry. Key steps include the formation of the isoindole ring system through cyclization reactions and the subsequent introduction of the benzoic acid moiety via coupling reactions. These reactions are optimized to ensure high yields and purity, which are essential for downstream applications.

From an environmental perspective, this compound has been evaluated for its biodegradability and ecological impact. Studies indicate that it undergoes rapid degradation under aerobic conditions, minimizing its potential to accumulate in the environment. This makes it a more sustainable option compared to other synthetic compounds with longer persistence.

In conclusion, 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid represents a promising molecule with diverse applications in the field of pharmaceuticals and beyond. Its unique structure, combined with recent advances in chemical synthesis and computational modeling, positions it as a key player in future drug discovery efforts.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:106352-01-6)3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
A895829
Purity:99%
Quantity:1g
Price ($):150.0
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