Cas no 1000783-11-8 (Ethyl 4,5-diaminopicolinate)

Ethyl 4,5-diaminopicolinate is a versatile heterocyclic compound featuring both amino and ester functional groups on a pyridine scaffold. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and coordination complexes. The presence of two adjacent amino groups enhances its reactivity in condensation and cyclization reactions, while the ethyl ester moiety offers flexibility for further derivatization. Its stability under standard conditions and high purity make it suitable for precision applications in medicinal chemistry and materials science. The compound is commonly utilized in the development of kinase inhibitors and other biologically active molecules.
Ethyl 4,5-diaminopicolinate structure
Ethyl 4,5-diaminopicolinate structure
Product Name:Ethyl 4,5-diaminopicolinate
CAS No:1000783-11-8
MF:C8H11N3O2
MW:181.191841363907
CID:1040213
PubChem ID:23729675
Update Time:2025-08-03

Ethyl 4,5-diaminopicolinate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4,5-diaminopicolinate
    • Ethyl 4,5-diaminopicolite
    • ethyl 4,5-diaminopyridine-2-carboxylate
    • 4,5-Diaminopyridine-2-carboxylic acid ethyl ester
    • 4,5-Diamino-2-pyridinecarboxylic acid ethyl ester
    • 2-Pyridinecarboxylic acid, 4,5-diaMino-, ethyl ester
    • AB66689
    • DB-082943
    • DTXSID80635839
    • CS-0340021
    • 1000783-11-8
    • SCHEMBL41011
    • XFGYUNVIMSXNNA-UHFFFAOYSA-N
    • Ethyl4,5-diaminopicolinate
    • AKOS015891881
    • Inchi: 1S/C8H11N3O2/c1-2-13-8(12)7-3-5(9)6(10)4-11-7/h3-4H,2,10H2,1H3,(H2,9,11)
    • InChI Key: XFGYUNVIMSXNNA-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=C(C(=CN=1)N)N)=O

Computed Properties

  • Exact Mass: 181.08500
  • Monoisotopic Mass: 181.085126602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 186
  • 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: 0
  • Topological Polar Surface Area: 91.2?2

Experimental Properties

  • Density: 1.279
  • PSA: 91.23000
  • LogP: 1.58510

Ethyl 4,5-diaminopicolinate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Ethyl 4,5-diaminopicolinate

Ethyl 4,5-Diaminopicolinate: A Comprehensive Overview

Ethyl 4,5-diaminopicolinate, with the CAS number 1000783-11-8, is a compound of significant interest in the fields of chemistry and materials science. This compound has been studied extensively due to its unique properties and potential applications in various industries. In this article, we will delve into the structure, synthesis, properties, and applications of Ethyl 4,5-diaminopicolinate, while incorporating the latest research findings to provide a comprehensive understanding of this compound.

The chemical structure of Ethyl 4,5-diaminopicolinate is characterized by a picolinic acid backbone with two amino groups at the 4 and 5 positions. The ethyl ester group further enhances its solubility and stability in various solvents. This structure makes it an ideal candidate for coordination chemistry studies, as the amino groups can act as ligands for metal ions. Recent studies have highlighted its ability to form stable metal complexes with transition metals such as copper and zinc, which are of great importance in catalysis and materials science.

The synthesis of Ethyl 4,5-diaminopicolinate involves a multi-step process that typically begins with the preparation of picolinic acid derivatives. The introduction of amino groups at specific positions requires precise control over reaction conditions to ensure high yields and purity. Recent advancements in synthetic methodologies have enabled researchers to optimize these steps, leading to more efficient and scalable production methods.

One of the most notable applications of Ethyl 4,5-diaminopicolinate is in the field of coordination chemistry. Its ability to form stable complexes with metal ions has been leveraged in the development of new catalysts for organic transformations. For instance, studies have shown that copper complexes derived from Ethyl 4,5-diaminopicolinate exhibit high catalytic activity in oxidation reactions, making them promising candidates for industrial applications.

In addition to its role in catalysis, Ethyl 4,5-diaminopicolinate has also found applications in materials science. Its coordination properties make it suitable for the synthesis of metal-organic frameworks (MOFs) and other porous materials. These materials have potential uses in gas storage, sensing, and drug delivery systems. Recent research has focused on optimizing the synthesis conditions to enhance the stability and functionality of these materials.

The biological properties of Ethyl 4,5-diaminopicolinate have also been explored in recent studies. Some research indicates that this compound may exhibit antioxidant activity due to its structural similarities with known bioactive compounds. Further investigations are underway to assess its potential as a therapeutic agent or a component in drug delivery systems.

From an environmental standpoint, understanding the degradation pathways and toxicity profile of Ethyl 4,5-diaminpicolinate is crucial for ensuring its safe use in industrial applications. Recent toxicological studies have provided insights into its biodegradability and potential impact on aquatic ecosystems.

In conclusion, Ethyl 4,diaminpicolinate (CAS No:1000783-11-8) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure enables it to serve as a valuable tool in coordination chemistry, catalysis, and materials science while ongoing research continues to uncover new avenues for its utilization.

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