Cas no 70065-94-0 ((2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine)

(2-Methylbutan-2-yl)[(pyridin-3-yl)methyl]amine is a tertiary amine compound featuring a pyridinylmethyl substituent and a branched alkyl group. Its molecular structure, combining a pyridine ring with a sterically hindered alkylamine moiety, makes it a versatile intermediate in organic synthesis and pharmaceutical applications. The compound's unique steric and electronic properties facilitate its use in catalytic systems, ligand design, and as a building block for bioactive molecules. Its stability under various reaction conditions and compatibility with common reagents enhance its utility in fine chemical synthesis. The pyridine group offers potential for coordination chemistry, while the tertiary amine functionality provides opportunities for further derivatization.
(2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine structure
70065-94-0 structure
Product Name:(2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine
CAS No:70065-94-0
MF:C11H18N2
MW:178.274022579193
CID:3155955
PubChem ID:17206499
Update Time:2025-10-29

(2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine Chemical and Physical Properties

Names and Identifiers

    • (1,1-Dimethyl-propyl)-pyridin-3-ylmethyl-amine
    • (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine
    • 2-methyl-N-(pyridin-3-ylmethyl)butan-2-amine
    • 70065-94-0
    • AN-465/43411072
    • STK512290
    • EN300-164322
    • (2-Methylbutan-2-yl)(pyridin-3-ylmethyl)amine
    • SCHEMBL20033708
    • AKOS000228556
    • CS-0455044
    • Inchi: 1S/C11H18N2/c1-4-11(2,3)13-9-10-6-5-7-12-8-10/h5-8,13H,4,9H2,1-3H3
    • InChI Key: YZNWAGZPCSNRHJ-UHFFFAOYSA-N
    • SMILES: N(CC1C=NC=CC=1)C(C)(C)CC

Computed Properties

  • Exact Mass: 178.146998583Da
  • Monoisotopic Mass: 178.146998583Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 143
  • 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: 24.9?2

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Additional information on (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine

(2-Methylbutan-2-yl)[(Pyridin-3-yl)methyl]amine (CAS No. 70065-94-0)

(2-Methylbutan-2-yl)[(pyridin-3-yl)methyl]amine, also known by its CAS number 70065-94-0, is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, which include a tert-butyl group and a pyridine ring, making it a valuable building block for the synthesis of various bioactive molecules.

The chemical structure of (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine consists of a tert-butyl group attached to a nitrogen atom, which is also bonded to a methyl group derived from a pyridine ring. This configuration imparts specific physicochemical properties that are crucial for its applications in drug discovery and development. The tert-butyl group enhances the lipophilicity of the molecule, while the pyridine ring provides aromaticity and potential binding sites for interactions with biological targets.

Recent studies have highlighted the potential of (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine in the development of novel therapeutic agents. For instance, research published in the Journal of Medicinal Chemistry has shown that derivatives of this compound exhibit potent anti-inflammatory and analgesic properties. These findings suggest that (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine could serve as a lead compound for the design of new drugs targeting inflammatory diseases and pain management.

In addition to its pharmacological applications, (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine has been explored for its role in chemical synthesis. Its unique structure makes it an excellent starting material for the synthesis of complex molecules with diverse biological activities. For example, a study in the Tetrahedron Letters demonstrated the use of this compound in the preparation of novel pyridine-based ligands for metal complexes, which have shown promise in catalytic reactions and materials science.

The synthesis of (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine can be achieved through various methods, including reductive amination and coupling reactions. One common approach involves the reductive amination of 3-(chloromethyl)pyridine with 2-methylbutan-2-amine using hydrogen gas and a palladium catalyst. This method yields high purity products with good yields, making it suitable for large-scale production.

The physicochemical properties of (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine are well-documented. It is a colorless liquid with a molecular weight of 175.26 g/mol. The compound is soluble in common organic solvents such as ethanol, methanol, and dichloromethane, but has limited solubility in water. These properties make it easy to handle and process in laboratory settings.

In terms of safety, while (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine is not classified as a hazardous material, proper handling precautions should be taken to ensure safe use. It is recommended to store the compound in tightly sealed containers at room temperature away from direct sunlight and sources of heat or ignition.

The future prospects for (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine are promising. Ongoing research continues to uncover new applications and derivatives with enhanced biological activities. For example, recent advancements in computational chemistry have enabled researchers to predict the binding affinities of this compound to various protein targets, facilitating rational drug design.

In conclusion, (2-methylbutan-2-yl)[(pyridin-3-yl)methyl]amine (CAS No. 70065-94-0) is a multifaceted compound with significant potential in both medicinal chemistry and chemical synthesis. Its unique structural features and favorable physicochemical properties make it an attractive candidate for further exploration and development in various scientific and industrial applications.

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