Cas no 105020-39-1 (Methyl 2-Methyl-1,2,3-triazole-4-carboxylate)

Methyl 2-Methyl-1,2,3-triazole-4-carboxylate is a heterocyclic ester compound featuring a triazole core with a methyl substituent at the 2-position and a carboxylate group at the 4-position. This structure imparts versatility in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. The triazole moiety enhances stability and offers potential for further derivatization, while the ester group facilitates reactivity in nucleophilic substitution or hydrolysis reactions. Its well-defined molecular framework makes it a valuable intermediate for constructing complex molecules with tailored properties. The compound is typically handled under standard laboratory conditions, ensuring compatibility with common synthetic protocols.
Methyl 2-Methyl-1,2,3-triazole-4-carboxylate structure
105020-39-1 structure
Product Name:Methyl 2-Methyl-1,2,3-triazole-4-carboxylate
CAS No:105020-39-1
MF:C5H7N3O2
MW:141.127980470657
MDL:MFCD16495898
CID:126576
PubChem ID:13723775
Update Time:2025-06-10

Methyl 2-Methyl-1,2,3-triazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate
    • 2H-1,2,3-Triazole-4-carboxylicacid, 2-methyl-, methyl ester
    • 2-methyl-2H-1,2,3-Triazole-4-carboxylic acid methyl ester
    • Methyl 2-Methyl-1,2,3-triazole-4-carboxylate
    • methyl 2-methyltriazole-4-carboxylate
    • 2H-1,2,3-Triazole-4-carboxylicacid,2-methyl-,methylester(9CI)
    • 2H-1,2,3-Triazole-4-carboxylic acid, 2-methyl-, methyl ester
    • PubChem19254
    • DHEGGJDFEGULIC-UHFFFAOYSA-N
    • 1175AA
    • TRA0043821
    • SY008375
    • AS-31763
    • CS-0129792
    • 2-methyl 2H-1,2,3-triazole-4-carboxylic acid methyl ester
    • DTXSID10547678
    • SCHEMBL864815
    • AKOS016000180
    • MFCD16495898
    • Methyl 2-Methyl-1 pound not2 pound not3-triazole-4-carboxylate
    • 105020-39-1
    • FT-0744809
    • Methyl2-Methyl-1,2,3-triazole-4-carboxylate
    • DB-059286
    • MDL: MFCD16495898
    • Inchi: 1S/C5H7N3O2/c1-8-6-3-4(7-8)5(9)10-2/h3H,1-2H3
    • InChI Key: DHEGGJDFEGULIC-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=NN(C)N=1)=O

Computed Properties

  • Exact Mass: 141.05400
  • Monoisotopic Mass: 141.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 139
  • 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: 57
  • XLogP3: 0.4

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 246.1±32.0℃ at 760 mmHg
  • Flash Point: 102.6±25.1 °C
  • Refractive Index: 1.57
  • PSA: 57.01000
  • LogP: -0.39830
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

Methyl 2-Methyl-1,2,3-triazole-4-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Methyl 2-Methyl-1,2,3-triazole-4-carboxylate Production Method

Additional information on Methyl 2-Methyl-1,2,3-triazole-4-carboxylate

Methyl 2-Methyl-1,2,3-Triazole-4-Carboxylate: A Comprehensive Overview

Methyl 2-Methyl-1,2,3-triazole-4-carboxylate (CAS No. 105020-39-1) is a versatile organic compound that has garnered significant attention in the fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a methyl ester group with a substituted triazole ring. The triazole moiety, in particular, has been extensively studied for its potential applications in various industries. This article delves into the properties, synthesis methods, and recent advancements in the utilization of this compound.

The molecular structure of Methyl 2-Methyl-1,2,3-triazole-4-carboxylate is notable for its triazole ring, a heterocyclic aromatic compound with three nitrogen atoms. The presence of the methyl group at the 2-position of the triazole ring introduces steric effects that can influence the compound's reactivity and stability. Additionally, the ester group at the 4-position plays a crucial role in determining its solubility and compatibility with various solvents. These structural features make it a valuable building block in organic synthesis.

Recent studies have highlighted the synthesis methods for Methyl 2-Methyl-1,2,3-triazole-4-carboxylate as a key area of research. Traditional approaches often involve multi-step reactions, including nucleophilic substitutions and cyclizations. However, advancements in catalytic chemistry have enabled more efficient and environmentally friendly production methods. For instance, researchers have explored the use of transition metal catalysts to facilitate the formation of the triazole ring under mild conditions. These innovations not only enhance yield but also reduce the environmental footprint associated with large-scale production.

The applications of Methyl 2-Methyl-1,2,3-triazole-4-carboxylate are diverse and expanding rapidly. In pharmaceuticals, this compound serves as an intermediate in the synthesis of bioactive molecules targeting various therapeutic areas such as oncology and infectious diseases. Its ability to act as a linker in drug delivery systems has further enhanced its utility in targeted therapies. In materials science, it has been employed as a precursor for advanced polymers and coatings due to its excellent thermal stability and mechanical properties.

One of the most promising areas of research involves the use of Methyl 2-Methyl-1,2,3-triazole-4-carboxylate in click chemistry reactions. Click chemistry is a rapidly growing field that focuses on creating robust chemical bonds under mild conditions. The triazole group's ability to participate in [1+2] cycloadditions with azides or alkynes has made it an invaluable tool for constructing complex molecules efficiently. Recent studies have demonstrated its application in synthesizing nanomaterials such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), which hold potential for gas storage and catalysis.

In addition to its chemical applications, Methyl 2-Methyl-1,2,3-triazole-4-carboxylate has shown promise in biotechnology. Its compatibility with biological systems makes it an attractive candidate for use in enzyme immobilization and biosensor development. Researchers have explored its ability to form stable conjugates with proteins and nucleic acids without compromising their functionality. This property opens new avenues for diagnostic tools and therapeutic agents.

From an environmental perspective, understanding the degradation pathways of Methyl 2-Methyl-1,2,3-triazole-4-carboxylate is critical for assessing its ecological impact. Studies have shown that under aerobic conditions, this compound undergoes hydrolysis to form carboxylic acids and other byproducts that are less harmful to aquatic life. Regulatory agencies are increasingly focusing on ensuring that industrial processes involving this compound adhere to strict environmental guidelines to minimize pollution risks.

In conclusion,Methyl 2-Methyl-1,2,3-triazole-4-carboxylate (CAS No. 105020-39-1) stands out as a multifaceted compound with wide-ranging applications across various scientific disciplines. Its unique structure enables it to serve as a versatile building block in organic synthesis while offering innovative solutions in materials science and biotechnology. As research continues to uncover new potential uses for this compound,the demand for sustainable production methods will remain a focal point for future advancements.

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