Cas no 39919-69-2 (2-(1,1-Dimethylethyl)-4-pyridinamine)

2-(1,1-Dimethylethyl)-4-pyridinamine is a substituted pyridine derivative featuring a tert-butyl group at the 2-position and an amino group at the 4-position. This structural configuration imparts steric hindrance and electronic modulation, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The tert-butyl group enhances stability and influences reactivity, while the amino group provides a versatile site for further functionalization. Its well-defined molecular structure ensures consistent performance in heterocyclic chemistry, particularly in the development of ligands, catalysts, and bioactive compounds. The compound is characterized by high purity and stability, making it suitable for research and industrial-scale applications requiring precise chemical modifications.
2-(1,1-Dimethylethyl)-4-pyridinamine structure
39919-69-2 structure
Product Name:2-(1,1-Dimethylethyl)-4-pyridinamine
CAS No:39919-69-2
MF:C9H14N2
MW:150.220861911774
MDL:MFCD01646253
CID:1021340
PubChem ID:817753
Update Time:2025-06-12

2-(1,1-Dimethylethyl)-4-pyridinamine Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)pyridin-4-amine
    • 2-(1,1-Dimethylethyl)-4-pyridinamine
    • 2-TERT-BUTYL-PYRIDIN-4-YLAMINE,
    • 4-Pyridinamine,2-(1,1-dimethylethyl)-(9CI)
    • 4-Amino-2-tert.-butyl-pyridin
    • 2-tert-Butyl-pyridin-4-ylamine
    • MFCD01646253
    • DB-069894
    • CHJHJHNACZQLTN-UHFFFAOYSA-N
    • NS-01158
    • AB09613
    • AKOS000320594
    • SCHEMBL3992526
    • F10424
    • 2-tert-Butyl-pyridin-4-ylamine, AldrichCPR
    • 2-tertbutyl-4-aminopyridine
    • A873533
    • 39919-69-2
    • F3284-8133
    • 2-tert-butylpyridin-4-amine
    • DTXSID90355854
    • CS-W000640
    • MDL: MFCD01646253
    • Inchi: 1S/C9H14N2/c1-9(2,3)8-6-7(10)4-5-11-8/h4-6H,1-3H3,(H2,10,11)
    • InChI Key: CHJHJHNACZQLTN-UHFFFAOYSA-N
    • SMILES: N1C=CC(=CC=1C(C)(C)C)N

Computed Properties

  • Exact Mass: 150.11600
  • Monoisotopic Mass: 150.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 126
  • 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: 1.9
  • Topological Polar Surface Area: 38.9?2

Experimental Properties

  • Density: 0.990
  • PSA: 38.91000
  • LogP: 2.54250

2-(1,1-Dimethylethyl)-4-pyridinamine 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-(1,1-Dimethylethyl)-4-pyridinamine Pricemore >>

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2-(1,1-Dimethylethyl)-4-pyridinamine Production Method

Additional information on 2-(1,1-Dimethylethyl)-4-pyridinamine

Comprehensive Overview of 2-(1,1-Dimethylethyl)-4-pyridinamine (CAS No. 39919-69-2): Properties, Applications, and Industry Insights

2-(1,1-Dimethylethyl)-4-pyridinamine, identified by its CAS number 39919-69-2, is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This tertiary-butyl-substituted pyridine derivative exhibits unique structural features, making it a valuable intermediate in synthetic chemistry. The compound's molecular formula, C9H14N2, and its distinct amine functional group at the 4-position of the pyridine ring contribute to its reactivity and potential applications.

Recent trends in drug discovery and precision agriculture have increased interest in pyridine-based compounds like 39919-69-2. Researchers are particularly focused on its potential as a building block for developing novel small molecule therapeutics and crop protection agents. The compound's steric hindrance from the tert-butyl group offers interesting possibilities for molecular design, especially in creating compounds with improved target selectivity and metabolic stability.

From a synthetic chemistry perspective, 2-(1,1-Dimethylethyl)-4-pyridinamine serves as a versatile intermediate. Its nucleophilic amino group allows for various derivatization reactions, including acylation, alkylation, and condensation reactions. These properties make it valuable for constructing more complex molecular architectures, particularly in medicinal chemistry applications where pyridine scaffolds are prevalent.

The compound's physicochemical properties have been extensively studied. With a molecular weight of 150.22 g/mol, it typically appears as a white to off-white crystalline powder. Its lipophilicity (predicted logP ~1.8) and basic nature (pKa ~5.5 for the pyridine nitrogen) make it particularly interesting for bioavailability optimization in drug development. These characteristics align well with current industry focus on property-based drug design and molecular optimization strategies.

In the context of green chemistry initiatives, researchers are exploring more sustainable synthetic routes to 39919-69-2. Recent publications highlight catalytic methods and atom-economical processes for its production, addressing growing concerns about environmental impact in chemical manufacturing. This aligns with the pharmaceutical industry's increasing emphasis on process intensification and waste reduction.

Quality control of 2-(1,1-Dimethylethyl)-4-pyridinamine typically involves advanced analytical techniques. HPLC, GC-MS, and NMR spectroscopy are commonly employed to verify purity and structural integrity. The compound's stability under various storage conditions has been investigated, with recommendations for anhydrous storage in inert atmospheres to prevent degradation.

Emerging applications for this compound include its use in material science, particularly as a precursor for functionalized polymers and coordination complexes. Its ability to act as a ligand in metal-organic frameworks (MOFs) is being explored for catalytic and sensing applications. These developments reflect broader industry trends toward multifunctional materials with tailored properties.

From a regulatory perspective, 39919-69-2 is not currently classified as hazardous under major chemical inventories. However, proper laboratory handling procedures should always be followed, including the use of personal protective equipment (PPE) and engineering controls when working with fine powders. Material Safety Data Sheets (MSDS) provide detailed guidance on safe handling practices.

The commercial availability of 2-(1,1-Dimethylethyl)-4-pyridinamine has expanded in recent years, with multiple suppliers offering it in various quantities. Pricing typically reflects the compound's high purity grade (often >98%) and the complexity of its synthesis. Current market analysis suggests steady demand from contract research organizations and academic institutions engaged in heterocyclic chemistry research.

Future research directions for this compound may include exploration of its biological activity profile, particularly given the pharmacological importance of 4-aminopyridine derivatives. Computational chemistry approaches are being applied to predict its ADMET properties and potential structure-activity relationships. These studies could open new avenues for its application in lead compound development.

In conclusion, 2-(1,1-Dimethylethyl)-4-pyridinamine (CAS 39919-69-2) represents an important chemical intermediate with diverse potential applications. Its unique structural features and synthetic versatility continue to make it valuable across multiple scientific disciplines. As research into nitrogen-containing heterocycles advances, this compound is likely to maintain its relevance in both academic and industrial settings.

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