Cas no 131941-21-4 (2-Isopropyl-5-nitropyridine)

2-Isopropyl-5-nitropyridine is a nitropyridine derivative characterized by its isopropyl substituent at the 2-position and a nitro group at the 5-position of the pyridine ring. This compound is of interest in organic synthesis and pharmaceutical research due to its electron-deficient aromatic system, which facilitates nucleophilic substitution reactions. The nitro group enhances reactivity, making it a useful intermediate for the preparation of more complex heterocyclic compounds. Its structural features also lend potential utility in agrochemical and material science applications. The compound is typically handled under controlled conditions due to its sensitivity to light and heat. Purity and stability are critical for consistent performance in synthetic applications.
2-Isopropyl-5-nitropyridine structure
2-Isopropyl-5-nitropyridine structure
Product Name:2-Isopropyl-5-nitropyridine
CAS No:131941-21-4
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD11113382
CID:898820
PubChem ID:45096321
Update Time:2025-06-14

2-Isopropyl-5-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Isopropyl-5-nitropyridine
    • 2-(1-methylethyl)-5-nitroPyridine
    • 5-nitro-2-propan-2-ylpyridine
    • Pyridine, 2-(1-methylethyl)-5-nitro- (9CI)
    • Pyridine, 2-(1-methylethyl)-5-nitro-
    • 5-NITRO-2-(PROPAN-2-YL)PYRIDINE
    • DTXSID60667476
    • PB13389
    • 2-isopropyl-5-nitro-pyridine
    • AC-22637
    • 2-(1-methylethyl)-5-nitro-Pyridine
    • SCHEMBL397421
    • 131941-21-4
    • NHGFJXPCQGXISU-UHFFFAOYSA-N
    • AKOS006306700
    • GS2370
    • Pyridine,2-(1-methylethyl)-5-nitro-(9ci)
    • P11098
    • Q-101509
    • MDL: MFCD11113382
    • Inchi: 1S/C8H10N2O2/c1-6(2)8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3
    • InChI Key: NHGFJXPCQGXISU-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CN=C(C=C1)C(C)C)=O

Computed Properties

  • Exact Mass: 166.07400
  • Monoisotopic Mass: 166.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 1.8
  • Topological Polar Surface Area: 58.7A^2

Experimental Properties

  • Density: 1.149
  • Boiling Point: 246.831 °C at 760 mmHg
  • Flash Point: 103.08 °C
  • Refractive Index: 1.536
  • PSA: 58.71000
  • LogP: 2.63640

2-Isopropyl-5-nitropyridine 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%

2-Isopropyl-5-nitropyridine Pricemore >>

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2-Isopropyl-5-nitropyridine Production Method

Additional information on 2-Isopropyl-5-nitropyridine

Recent Advances in the Study of 2-Isopropyl-5-nitropyridine (CAS: 131941-21-4): A Comprehensive Research Brief

2-Isopropyl-5-nitropyridine (CAS: 131941-21-4) is a nitropyridine derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its versatile applications in drug discovery and material science. Recent studies have explored its potential as a building block for pharmaceuticals, agrochemicals, and specialty chemicals. This research brief synthesizes the latest findings on the synthesis, biological activity, and industrial applications of this compound, providing a comprehensive overview for researchers and industry professionals.

One of the most notable advancements in the study of 2-Isopropyl-5-nitropyridine is its role in the development of novel kinase inhibitors. A 2023 study published in the *Journal of Medicinal Chemistry* demonstrated that derivatives of this compound exhibit potent inhibitory activity against specific tyrosine kinases implicated in cancer progression. The researchers utilized a structure-activity relationship (SAR) approach to optimize the compound's efficacy, leading to the identification of a lead candidate with promising preclinical results. The study highlighted the importance of the nitro and isopropyl functional groups in mediating target binding and selectivity.

In addition to its pharmacological potential, 2-Isopropyl-5-nitropyridine has been investigated for its utility in organic synthesis. A recent report in *Organic Letters* detailed a novel catalytic method for the regioselective functionalization of this compound, enabling the efficient production of diverse derivatives. The methodology employed palladium-catalyzed C-H activation, which offers advantages in terms of yield and environmental sustainability compared to traditional approaches. This breakthrough has significant implications for the scalable synthesis of nitropyridine-based compounds for industrial applications.

Further research has explored the compound's physicochemical properties, including its stability and solubility profiles. A 2024 study in *Chemical & Pharmaceutical Bulletin* characterized the crystal structure of 2-Isopropyl-5-nitropyridine using X-ray diffraction, revealing insights into its molecular packing and intermolecular interactions. These findings are critical for formulation scientists working on drug delivery systems, as they provide a foundation for predicting the compound's behavior in various matrices.

The environmental impact of 2-Isopropyl-5-nitropyridine has also been a subject of recent scrutiny. A collaborative study between academic and industrial researchers assessed the compound's biodegradability and ecotoxicity, concluding that it exhibits moderate persistence in aquatic environments. The study recommended further investigation into green chemistry approaches to mitigate potential environmental risks associated with its widespread use.

Looking ahead, the versatility of 2-Isopropyl-5-nitropyridine continues to inspire innovative applications. Emerging research suggests its potential as a precursor for photoactive materials and as a ligand in catalytic systems. As the scientific community deepens its understanding of this compound's properties and applications, it is poised to play an increasingly important role in the development of next-generation therapeutics and functional materials.

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