Cas no 1333210-41-5 (tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate)

Tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate is a protected amine derivative featuring an azetidine ring and a tert-butyl carbamate (Boc) group. The Boc group enhances stability, facilitating handling and storage while allowing selective deprotection under mild acidic conditions. The azetidine moiety provides a constrained, four-membered ring structure, useful in medicinal chemistry for modulating conformational flexibility and improving binding affinity. This compound serves as a versatile intermediate in organic synthesis, particularly for the development of pharmaceuticals and bioactive molecules. Its well-defined reactivity and protective group strategy make it valuable for controlled functionalization in complex synthetic routes.
tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate structure
1333210-41-5 structure
Product Name:tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate
CAS No:1333210-41-5
MF:C11H22N2O2
MW:214.304583072662
CID:2117251
Update Time:2025-06-08

tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 2-(azetidin-3-yl)propan-2-ylcarbamate
    • tert-Butyl n-[2-(azetidin-3-yl)propan-2-yl]carbamate
    • tert-Butyl (2-(azetidin-3-yl)propan-2-yl)carbamate
    • OJURJDDXYFRCBQ-UHFFFAOYSA-N
    • SB15942
    • tert-butyl[2-(azetidin-3-yl)propan-2-yl]carbamate
    • tert-butylN-[2-(azetidin-3-yl)propan-2-yl]carbamate
    • CID 91933776
    • N-[1-(3-Azetidinyl)-1-methylethyl]carbamic acid tert-butyl ester
    • Carbamic acid, N-[1-(3-azetidinyl)-1-methylethyl]-, 1,1-dimethylethyl ester
    • tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate
    • Inchi: 1S/C11H22N2O2/c1-10(2,3)15-9(14)13-11(4,5)8-6-12-7-8/h8,12H,6-7H2,1-5H3,(H,13,14)
    • InChI Key: OJURJDDXYFRCBQ-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(NC(C)(C)C1CNC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 240
  • Topological Polar Surface Area: 50.4

Experimental Properties

  • Density: 1.012±0.06 g/cm3(Predicted)
  • Boiling Point: 304.7±15.0 °C(Predicted)
  • pka: 12.67±0.46(Predicted)

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Additional information on tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate

Professional Introduction to Compound with CAS No. 1333210-41-5 and Product Name: tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate

The compound with the CAS number 1333210-41-5 and the product name tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate represents a significant advancement in the field of pharmaceutical chemistry. This compound, characterized by its unique structural framework, has garnered considerable attention due to its potential applications in drug development and medicinal chemistry. The molecular structure of this compound incorporates a tert-butyl group, which is known for its steric hindrance properties, and an azetidin-3-yl moiety, which introduces a cyclic amine functionality. These features contribute to its distinctive chemical and biological properties, making it a valuable candidate for further investigation.

In recent years, the pharmaceutical industry has witnessed a surge in the exploration of novel heterocyclic compounds, particularly those containing azetidine rings. Azetidine derivatives are of immense interest due to their ability to mimic natural amino acid structures, thereby serving as potential scaffolds for enzyme inhibition and receptor binding. The presence of the azetidin-3-yl group in this compound not only enhances its structural complexity but also opens up avenues for exploring its pharmacological interactions. This moiety has been increasingly studied for its role in modulating various biological pathways, including those involved in inflammation, pain perception, and neurodegenerative diseases.

The tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate structure itself is a testament to the innovative approaches being employed in medicinal chemistry. The carbamate functional group, attached to a propyl chain that is further linked to the azetidine ring, provides a versatile platform for chemical modifications. Such modifications can be tailored to optimize solubility, bioavailability, and target specificity. The tert-butyl group, while contributing to steric bulk, also serves as an anchor point for further derivatization, allowing chemists to fine-tune the compound's properties as needed.

Recent studies have highlighted the importance of structural diversity in drug discovery processes. Compounds like tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate exemplify how combining different functional groups can lead to novel pharmacological effects. The integration of the azetidin-3-yl moiety with the carbamate group has been associated with enhanced binding affinity to certain enzymes and receptors. This synergistic effect is particularly relevant in the context of developing treatments for complex diseases where multiple targets need to be addressed simultaneously.

The compound's potential extends beyond mere structural novelty; it also holds promise in terms of therapeutic applications. Preliminary research indicates that derivatives of this class may exhibit inhibitory activity against enzymes implicated in metabolic disorders and cancer. The tert-butyl group, while primarily contributing steric hindrance, may also play a role in modulating enzyme-substrate interactions by influencing the conformational flexibility of the molecule. This aspect is being actively explored in laboratory settings where computational modeling and experimental validation are being employed to elucidate the mechanistic basis of its activity.

From a synthetic chemistry perspective, tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate represents an interesting challenge due to its complex architecture. The synthesis involves multiple steps, including the formation of the azetidine ring and the introduction of the carbamate moiety. Advances in synthetic methodologies have enabled more efficient and scalable production processes for such compounds. Techniques such as transition-metal-catalyzed reactions and enzymatic catalysis have been particularly useful in constructing intricate molecular frameworks like this one.

The compound's stability under various conditions is another critical factor that influences its suitability for pharmaceutical applications. Studies have been conducted to assess its thermal stability, solubility profile, and degradation kinetics under different pH conditions. These parameters are essential for determining its shelf life and compatibility with various formulation matrices. The presence of the tert-butyl group appears to enhance thermal stability, which is advantageous for industrial-scale production and storage.

In conclusion, tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate (CAS No. 1333210-41-5) stands out as a promising candidate in pharmaceutical research due to its unique structural features and potential therapeutic applications. The combination of an azetidin-3-yl moiety with a carbamate group offers a rich ground for exploring novel drug mechanisms. As research continues to uncover new insights into its biological activity and synthetic pathways, this compound is poised to make significant contributions to future medical advancements.

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