Cas no 936940-14-6 ((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine)

(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine is a pyrazole-based amine compound with potential applications in pharmaceutical and agrochemical research. Its structure features a substituted pyrazole core with an ethyl group at the N1 position and methyl groups at the 3- and 5-positions, enhancing steric and electronic properties. The methylamine moiety at the 4-position provides reactivity for further functionalization, making it a versatile intermediate in heterocyclic synthesis. This compound may exhibit favorable solubility and stability characteristics due to its balanced hydrophobic and hydrophilic groups. Its precise molecular architecture allows for targeted modifications in drug discovery or ligand design, particularly in developing bioactive molecules with optimized pharmacokinetic profiles.
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine structure
936940-14-6 structure
Product Name:(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine
CAS No:936940-14-6
MF:C8H15N3
MW:153.224801301956
MDL:MFCD02055727
CID:802417
PubChem ID:16394814
Update Time:2025-05-26

(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine Chemical and Physical Properties

Names and Identifiers

    • (1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
    • (1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine
    • (1-ethyl-3,5-dimethylpyrazol-4-yl)methanamine
    • 1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine(SALTDATA: FREE)
    • 1H-Pyrazole-4-methanamine, 1-ethyl-3,5-dimethyl-
    • (1-ethyl-3,5-dimethylpyrazol-4-yl)methylamine
    • BB_SC-3712
    • Z275170058
    • AKOS000558481
    • CS-0257250
    • 936940-14-6
    • MFCD02055727
    • EN300-66687
    • 4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLICACIDHYDRAZIDE
    • C-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-methylamine
    • FT-0679037
    • 1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
    • DTXSID20585889
    • (1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine
    • MDL: MFCD02055727
    • Inchi: 1S/C8H15N3/c1-4-11-7(3)8(5-9)6(2)10-11/h4-5,9H2,1-3H3
    • InChI Key: YTTHMHICPSKVKX-UHFFFAOYSA-N
    • SMILES: N1(CC)C(C)=C(CN)C(C)=N1

Computed Properties

  • Exact Mass: 153.12700
  • Monoisotopic Mass: 153.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 127
  • 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: 43.8A^2
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 261.9±35.0 °C at 760 mmHg
  • Flash Point: 112.17°C
  • Refractive Index: 1.548
  • PSA: 43.84000
  • LogP: 1.67880
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine Security Information

(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. 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:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine Pricemore >>

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Additional information on (1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylamine

Introduction to (1-Ethyl-3,5-Dimethyl-1H-Pyrazol-4-Yl)Methylamine (CAS No. 936940-14-6)

(1-Ethyl-3,5-Dimethyl-1H-Pyrazol-4-Yl)Methylamine, identified by the CAS registry number 936940-14-6, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound belongs to the class of pyrazole derivatives, which are known for their unique chemical properties and wide-ranging utility in pharmaceuticals, agrochemicals, and advanced materials. The structure of this compound consists of a pyrazole ring substituted with ethyl and methyl groups at specific positions, along with an amine functional group attached to the nitrogen atom of the pyrazole ring. This combination of substituents imparts the compound with distinct reactivity and stability, making it a valuable building block in organic synthesis.

Recent advancements in synthetic chemistry have highlighted the potential of (1-Ethyl-3,5-Dimethyl-1H-Pyrazol-4-Yl)Methylamine as a key intermediate in the preparation of bioactive molecules. For instance, studies have demonstrated its role in the synthesis of novel antibiotics and antiviral agents. The methylamine group facilitates nucleophilic attacks, enabling the formation of complex molecular architectures that are critical for drug discovery. Moreover, the steric hindrance introduced by the ethyl and methyl substituents on the pyrazole ring can be strategically exploited to control reactivity and selectivity in various reactions.

In terms of chemical synthesis, (1-Ethyl-3,5-Dimethyl-1H-Pyrazol-4-Yl)Methylamine can be prepared through a variety of methods, including but not limited to condensation reactions and nucleophilic substitutions. One notable approach involves the reaction of an appropriate aldehyde or ketone with an amine derivative under specific conditions to form the pyrazole ring. The optimization of reaction conditions has been a focal point for researchers aiming to enhance yield and purity. Recent studies have also explored green chemistry methodologies for synthesizing this compound, such as using microwave-assisted synthesis or catalytic systems that minimize environmental impact.

The application of (1-Ethyl-3,5-Dimethyl-1H-Pyrazol-4-Yl)Methylamine extends beyond pharmaceuticals into materials science. For example, it has been employed as a precursor in the synthesis of conductive polymers and metalloorganic frameworks (MOFs). The amine functionality plays a crucial role in coordinating metal ions or linking organic units within these materials. Researchers have reported enhanced electrical conductivity and mechanical stability when this compound is incorporated into polymer matrices or MOF structures. These findings underscore its potential in developing advanced materials for energy storage devices such as batteries and supercapacitors.

From an environmental perspective, understanding the degradation pathways and ecological impact of (1-Ethyl-3,5-Dimethyl-1H-Pyrazol-4-Yl)Methylamine is essential for its sustainable use. Studies have shown that under aerobic conditions, this compound undergoes microbial degradation through hydrolysis and oxidation mechanisms. However, further research is required to assess its long-term persistence in different ecosystems and its potential effects on non-target organisms.

In conclusion, (1-Ethyl-3,5-Dimethyl-1H-Pyrazol-4-Yl)Methylamine (CAS No. 936940–14–6) stands out as a multifaceted compound with promising applications across diverse domains. Its unique chemical structure enables it to serve as a valuable intermediate in organic synthesis while offering opportunities for innovation in drug development and materials science. As research continues to uncover new facets of its properties and applications, this compound is poised to play an increasingly significant role in advancing modern chemistry.

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