Cas no 922-84-9 (ethane-1,1,2-tricarboxylic acid)

Ethane-1,1,2-tricarboxylic acid is a tricarboxylic acid derivative characterized by its three carboxyl functional groups attached to an ethane backbone. This structure imparts versatility in organic synthesis, particularly in the formation of complex molecules through reactions such as esterification, amidation, or metal chelation. Its multiple reactive sites enable applications in coordination chemistry, polymer synthesis, and as a building block for pharmaceuticals or specialty chemicals. The compound's stability and well-defined reactivity profile make it a useful intermediate in research and industrial processes. Proper handling is required due to its acidic nature, and compatibility with other reagents should be verified prior to use.
ethane-1,1,2-tricarboxylic acid structure
922-84-9 structure
Product Name:ethane-1,1,2-tricarboxylic acid
CAS No:922-84-9
MF:C5H6O6
MW:162.097542285919
CID:95317
PubChem ID:313489
Update Time:2025-06-08

ethane-1,1,2-tricarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,1,2-Ethanetricarboxylicacid
    • (Carboxymethyl)malonicacid
    • Butanedioic acid, carboxy-
    • Carboxysuccinic acid
    • NSC 227883
    • Propanedioic acid, (carboxymethyl)-
    • ethane-1,1,2-tricarboxylic acid
    • 1,2-Ethanetricarboxylic acid
    • 2-carboxy-1,4-butanedioic acid
    • Aethan-1,1,2-tricarbonsaeure
    • ethane-1,1,2-tricarboxylate
    • tricarboxyethane
    • 1,2,2-ethanetricarboxylic acid
    • NSC-227883
    • RWLDAJMGAVDXSH-UHFFFAOYSA-N
    • DTXSID10310501
    • CHEMBL1160006
    • 8RYX6SLV9H
    • 922-84-9
    • EN300-147088
    • Carboxysuccinic acid, >=98% (T)
    • 1,1,2-Ethanetricarboxylic acid
    • AKOS006271570
    • (Carboxymethyl)malonic acid
    • SCHEMBL110197
    • CS-0234764
    • NSC227883
    • Inchi: 1S/C5H6O6/c6-3(7)1-2(4(8)9)5(10)11/h2H,1H2,(H,6,7)(H,8,9)(H,10,11)
    • InChI Key: RWLDAJMGAVDXSH-UHFFFAOYSA-N
    • SMILES: OC(C(C(=O)O)CC(=O)O)=O

Computed Properties

  • Exact Mass: 162.01600
  • Monoisotopic Mass: 162.016
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 181
  • 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: 112A^2
  • XLogP3: -1

Experimental Properties

  • Density: 1.7
  • Boiling Point: 278.5°Cat760mmHg
  • Flash Point: 136.5°C
  • Refractive Index: 1.539
  • PSA: 111.90000
  • LogP: -0.75350

ethane-1,1,2-tricarboxylic acid Security Information

  • Hazard Category Code: 37/38-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xi

ethane-1,1,2-tricarboxylic acid Customs Data

  • HS CODE:2917190090
  • Customs Data:

    China Customs Code:

    2917190090

    Overview:

    2917190090 Other acyclic polycarboxylic 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, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917190090 acyclic polycarboxylic 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%

ethane-1,1,2-tricarboxylic acid Pricemore >>

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ethane-1,1,2-tricarboxylic acid Related Literature

Additional information on ethane-1,1,2-tricarboxylic acid

Recent Advances in the Study of Ethane-1,1,2-tricarboxylic Acid (CAS: 922-84-9) and Its Applications in Chemical Biology and Medicine

Ethane-1,1,2-tricarboxylic acid (CAS: 922-84-9) is a tricarboxylic acid derivative that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its three carboxyl groups, exhibits unique chemical properties that make it a valuable intermediate in synthetic chemistry and a candidate for drug development. Recent studies have explored its role in enzyme inhibition, metabolic pathways, and as a building block for more complex molecules. This research brief aims to summarize the latest findings related to ethane-1,1,2-tricarboxylic acid, highlighting its significance in the field.

One of the most notable areas of research involving ethane-1,1,2-tricarboxylic acid is its potential as an enzyme inhibitor. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that this compound exhibits inhibitory activity against certain enzymes involved in the tricarboxylic acid (TCA) cycle, a critical metabolic pathway in eukaryotic cells. The study utilized molecular docking simulations and kinetic assays to elucidate the binding mechanisms of ethane-1,1,2-tricarboxylic acid to target enzymes, revealing its competitive inhibition profile. These findings suggest that this compound could serve as a lead structure for developing novel therapeutics targeting metabolic disorders.

In addition to its enzyme inhibitory properties, ethane-1,1,2-tricarboxylic acid has been investigated for its role in chelation therapy. A recent preprint on bioRxiv highlighted its ability to bind metal ions, such as iron and copper, with high affinity. This property is particularly relevant in the context of diseases characterized by metal ion overload, such as hemochromatosis and Wilson's disease. The study employed spectroscopic techniques, including UV-Vis and NMR, to characterize the metal-ligand complexes formed by ethane-1,1,2-tricarboxylic acid. The results indicated that this compound could potentially be modified to enhance its selectivity and efficacy as a chelating agent.

Another promising avenue of research involves the use of ethane-1,1,2-tricarboxylic acid as a precursor for the synthesis of more complex bioactive molecules. A 2022 paper in Organic Letters described a novel synthetic route utilizing this compound to produce derivatives with enhanced pharmacological properties. The researchers employed a combination of solid-phase synthesis and click chemistry to generate a library of ethane-1,1,2-tricarboxylic acid derivatives, which were subsequently screened for antimicrobial activity. Several derivatives exhibited potent activity against Gram-positive bacteria, underscoring the potential of this compound in antibiotic development.

Despite these advancements, challenges remain in the application of ethane-1,1,2-tricarboxylic acid in clinical settings. Issues such as bioavailability, toxicity, and metabolic stability need to be addressed through further research. Recent efforts have focused on structural modifications to improve these properties. For instance, a 2023 study in ACS Chemical Biology reported the development of prodrugs based on ethane-1,1,2-tricarboxylic acid, which demonstrated improved pharmacokinetic profiles in preclinical models. These findings pave the way for future translational studies.

In conclusion, ethane-1,1,2-tricarboxylic acid (CAS: 922-84-9) represents a versatile compound with significant potential in chemical biology and medicine. Recent research has elucidated its roles in enzyme inhibition, metal chelation, and as a synthetic precursor, highlighting its broad applicability. However, further studies are needed to overcome existing limitations and fully realize its therapeutic potential. This research brief underscores the importance of continued investigation into this promising molecule.

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