Cas no 499770-77-3 ((1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine)

(1-Methyl-1H-benzod1,2,3triazol-5-yl)methanamine is a heterocyclic amine derivative featuring a benzotriazole core with a methyl substituent at the 1-position and an aminomethyl functional group at the 5-position. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate for synthesizing biologically active molecules. The benzotriazole scaffold is known for its stability and ability to participate in diverse chemical reactions, while the primary amine group offers a reactive site for further derivatization. Its structural properties make it suitable for applications in medicinal chemistry, particularly in the development of enzyme inhibitors or receptor modulators. The compound is typically handled under controlled conditions due to its reactive nature.
(1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine structure
499770-77-3 structure
Product Name:(1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine
CAS No:499770-77-3
MF:C8H10N4
MW:162.19180059433
MDL:MFCD07772800
CID:328068
PubChem ID:2795420
Update Time:2025-09-28

(1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzotriazole-5-methanamine,1-methyl-
    • 1-Methyl-1H-benzotriazole-5-methanamine
    • (1-Methyl-1H-1,2,3-benzotriazol-5-yl)methylamine
    • (1-methylbenzotriazol-5-yl)methanamine
    • (1-methylbenzotriazol-5-yl)methylamine
    • (1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine
    • SDCCGMLS-0066044.P001
    • (1-methyl-1H-1,2,3-benzotriazol-5-yl)methylamine, AldrichCPR
    • 499770-77-3
    • DTXSID40383662
    • QPFIBLSSLODPBG-UHFFFAOYSA-N
    • 1-(1-Methyl-1H-benzotriazol-5-yl)methanamine
    • F1907-0755
    • FT-0671522
    • AKOS022807811
    • (1-methyl-1H-1,2,3-benzotriazol-5-yl)methanamine
    • 5-(AMINOMETHYL)-1-METHYL-1H-BENZOTRIAZOLE
    • (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanamine
    • CS-0127694
    • EN300-264792
    • SCHEMBL904701
    • DB-004795
    • MDL: MFCD07772800
    • Inchi: 1S/C8H10N4/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5,9H2,1H3
    • InChI Key: QPFIBLSSLODPBG-UHFFFAOYSA-N
    • SMILES: N1(C)C2C=CC(CN)=CC=2N=N1

Computed Properties

  • Exact Mass: 162.09100
  • Monoisotopic Mass: 162.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 161
  • 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: 56.7A^2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 63-67
  • Boiling Point: 350.7±17.0 °C at 760 mmHg
  • Flash Point: 165.9±20.9 °C
  • Refractive Index: 1.691
  • PSA: 56.73000
  • LogP: 1.12730
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

(1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine Security Information

(1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine Pricemore >>

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Additional information on (1-methyl-1H-benzod1,2,3triazol-5-yl)methanamine

The Compound CAS No 499770-77-3: (1-Methyl-1H-Benzo[d][1,2,3]triazol-5-yl)methanamine

The compound CAS No 499770-77-3, also known as (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanamine, is a fascinating molecule with significant potential in various fields of chemistry and materials science. This compound has garnered attention due to its unique structural properties and functional groups, which make it a valuable building block for advanced materials and pharmaceuticals.

At its core, the molecule features a benzo[d][1,2,3]triazole ring system, which is a heterocyclic aromatic structure containing nitrogen atoms. The presence of this ring system imparts stability and reactivity to the compound, making it suitable for various chemical transformations. The methyl group attached to the triazole ring further enhances the molecule's versatility by introducing additional reactivity and solubility characteristics.

Recent studies have highlighted the potential of (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanamine in the development of novel materials for energy storage applications. Researchers have explored its use as a precursor for metal-free organic frameworks (MOFs) and covalent organic frameworks (COFs), which are highly porous materials with applications in gas storage and catalysis.

In addition to its role in materials science, this compound has shown promise in medicinal chemistry. Its ability to form hydrogen bonds and participate in π–π interactions makes it an attractive candidate for drug design. Recent computational studies have demonstrated that derivatives of this compound exhibit potential as inhibitors for certain enzymes involved in neurological disorders.

The synthesis of CAS No 499770-77-3 involves a multi-step process that typically begins with the preparation of the benzo[d][1,2,3]triazole ring system. This is followed by functionalization with the methylamine group through nucleophilic substitution or other suitable reactions. The exact synthetic pathway can vary depending on the starting materials and desired product purity.

One of the most exciting developments involving this compound is its use in click chemistry applications. The triazole ring system is known for its ability to undergo efficient cycloaddition reactions with azides or alkynes under mild conditions. This has led to its incorporation into bioconjugation reactions and the development of novel bioactive molecules.

Furthermore, recent advancements in green chemistry have highlighted the potential of CAS No 499770-77-3 as an environmentally friendly alternative to traditional reagents in organic synthesis. Its ability to participate in catalytic cycles without generating harmful byproducts makes it a sustainable choice for modern chemical processes.

In conclusion, CAS No 499770-77-3 stands out as a versatile and multifaceted compound with applications spanning materials science, medicinal chemistry, and green chemical processes. Its unique structural features and reactivity make it an invaluable tool for researchers seeking innovative solutions across various disciplines.

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