Cas no 98021-27-3 (2-Piperazinecarboxylicacid, 3,6-dioxo-)

2-Piperazinecarboxylic acid, 3,6-dioxo-, is a heterocyclic compound featuring a piperazine backbone with two ketone groups at the 3- and 6-positions and a carboxylic acid substituent. This structure imparts reactivity suitable for use as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its functional groups enable versatile derivatization, facilitating the formation of amides, esters, or other derivatives for further chemical modifications. The compound’s rigid piperazine core may contribute to enhanced stereochemical control in synthetic pathways. It is typically handled under controlled conditions due to its potential sensitivity to moisture or heat. Suitable for research and industrial use, it offers a balance of stability and reactivity for targeted synthetic applications.
2-Piperazinecarboxylicacid, 3,6-dioxo- structure
98021-27-3 structure
Product Name:2-Piperazinecarboxylicacid, 3,6-dioxo-
CAS No:98021-27-3
MF:C5H6N2O4
MW:158.112141132355
CID:801534
PubChem ID:53425379
Update Time:2025-06-08

2-Piperazinecarboxylicacid, 3,6-dioxo- Chemical and Physical Properties

Names and Identifiers

    • 2-Piperazinecarboxylicacid, 3,6-dioxo-
    • 2-Piperazinecarboxylicacid,3,6-dioxo-(6CI)
    • 3,6-dioxopiperazine-2-carboxylic acid
    • 2-Piperazinecarboxylicacid,3,6-dioxo
    • 3,6-Dioxo-piperazin-2-carbonsaeure
    • 3,6-dioxo-piperazine-2-carboxylic acid
    • BB 0267129
    • CS-0046478
    • AKOS022142357
    • D72771
    • 98021-27-3
    • DTXSID50698870
    • DB-270714
    • 2-PIPERAZINECARBOXYLIC ACID, 3,6-DIOXO-
    • Inchi: 1S/C5H6N2O4/c8-2-1-6-4(9)3(7-2)5(10)11/h3H,1H2,(H,6,9)(H,7,8)(H,10,11)
    • InChI Key: CPCFVPKLPLOBDR-UHFFFAOYSA-N
    • SMILES: O=C1C(C(=O)O)NC(CN1)=O

Computed Properties

  • Exact Mass: 158.03300
  • Monoisotopic Mass: 158.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 225
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 15
  • XLogP3: -1
  • Topological Polar Surface Area: 95.5A^2

Experimental Properties

  • PSA: 95.50000
  • LogP: -1.65680

2-Piperazinecarboxylicacid, 3,6-dioxo- Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-Piperazinecarboxylicacid, 3,6-dioxo- Pricemore >>

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Additional information on 2-Piperazinecarboxylicacid, 3,6-dioxo-

2-Piperazinecarboxylicacid, 3,6-dioxo- (CAS No. 98021-27-3): A Comprehensive Overview of Its Properties and Applications

2-Piperazinecarboxylicacid, 3,6-dioxo- (CAS No. 98021-27-3) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research and chemical synthesis. This compound, characterized by its unique piperazine backbone and carboxylic acid functionality, is widely utilized as a building block in the development of bioactive molecules. Its structural features make it a valuable intermediate for designing drugs targeting neurological disorders, antimicrobial agents, and other therapeutic applications.

The growing interest in 2-Piperazinecarboxylicacid, 3,6-dioxo- is driven by its versatility in medicinal chemistry. Researchers are increasingly exploring its potential in the synthesis of piperazine derivatives, which are known for their role in modulating neurotransmitter systems. This aligns with current trends in drug discovery, where neuroprotective compounds and antidepressant agents are highly sought after. Additionally, its 3,6-dioxo moiety offers reactive sites for further functionalization, enabling the creation of novel molecules with enhanced pharmacological profiles.

From an industrial perspective, CAS No. 98021-27-3 is often discussed in the context of green chemistry and sustainable synthesis. With the rise of environmentally conscious practices, chemists are investigating eco-friendly methods to produce this compound, such as catalytic processes or solvent-free reactions. This addresses the increasing demand for sustainable chemical intermediates in the pharmaceutical and agrochemical sectors.

Another area of interest is the compound's potential role in peptide mimetics and protease inhibitors. As the scientific community focuses on combating antibiotic resistance and viral infections, 2-Piperazinecarboxylicacid, 3,6-dioxo- has emerged as a candidate for designing inhibitors that target essential enzymes in pathogens. This application is particularly relevant given the ongoing search for broad-spectrum antiviral drugs and antimicrobial adjuvants.

In analytical chemistry, the compound's purity and stability are critical factors. Advanced techniques like HPLC and mass spectrometry are employed to ensure its quality for research and industrial use. The demand for high-purity pharmaceutical intermediates has surged, driven by stringent regulatory standards and the need for reproducible results in drug development.

Looking ahead, the exploration of 2-Piperazinecarboxylicacid, 3,6-dioxo- continues to expand, with studies investigating its potential in cancer therapeutics and immunomodulation. Its ability to interact with biological targets makes it a promising scaffold for next-generation therapeutics. As research progresses, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in modern medicine.

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