Cas no 1111236-12-4 (tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate)

Tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate is a protected amine derivative commonly employed in organic synthesis and pharmaceutical applications. The tert-butyloxycarbonyl (Boc) group serves as a robust protecting group for the primary amine, enhancing stability during multi-step reactions while allowing selective deprotection under mild acidic conditions. Its secondary amine functionality, combined with the propyl linker, offers versatility in constructing complex molecular architectures. This compound is particularly valuable in peptide synthesis, medicinal chemistry, and catalyst design, where controlled amine reactivity is critical. Its well-defined reactivity profile and compatibility with a range of solvents and reagents make it a practical intermediate for researchers requiring precise functional group manipulation.
tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate structure
1111236-12-4 structure
Product Name:tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate
CAS No:1111236-12-4
MF:C11H24N2O2
MW:216.320463180542
CID:1035760
PubChem ID:43136634
Update Time:2025-05-24

tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl (3-aminopropyl)(isopropyl)carbamate
    • tert-butyl 3-aminopropyl(isopropyl)carbamate
    • tert-butyl N-(3-aminopropyl)-N-propan-2-ylcarbamate
    • DTXSID50655488
    • tert-Butyl(3-aminopropyl)(isopropyl)carbamate
    • SCHEMBL13215105
    • EN300-69082
    • tert-Butyl (3-aminopropyl)propan-2-ylcarbamate
    • 1111236-12-4
    • Z381050432
    • AKOS008121945
    • CS-0217141
    • tert-butyl N-(3-aminopropyl)-N-(propan-2-yl)carbamate
    • tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate
    • Inchi: 1S/C11H24N2O2/c1-9(2)13(8-6-7-12)10(14)15-11(3,4)5/h9H,6-8,12H2,1-5H3
    • InChI Key: FMJYSGLQUZZKNY-UHFFFAOYSA-N
    • SMILES: O(C(N(CCCN)C(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 216.183778013g/mol
  • Monoisotopic Mass: 216.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 197
  • 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: 1.3
  • Topological Polar Surface Area: 55.6?2

tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate Pricemore >>

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Additional information on tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate

Introduction to Tert-Butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate (CAS No. 1111236-12-4)

Tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate, a compound with the chemical formula C11H21N2O2, is a significant molecule in the field of pharmaceutical chemistry. This compound, identified by its CAS number CAS NO. 1111236-12-4, has garnered attention due to its unique structural properties and potential applications in drug development. The presence of both tertiary butyl and amine functional groups makes it a versatile intermediate in synthesizing various bioactive molecules.

The structural configuration of tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate includes a carbamate linkage, which is a crucial feature for its reactivity and biological activity. This linkage is commonly found in many pharmaceutical agents, where it serves as a key pharmacophore. The tert-butyl group enhances the stability of the molecule, making it more resistant to hydrolysis, while the 3-aminopropyl and propan-2-yl side chains contribute to its solubility and interaction with biological targets.

In recent years, there has been a growing interest in carbamate-based compounds due to their broad spectrum of biological activities. Studies have shown that carbamates can act as potent inhibitors of various enzymes and receptors, making them valuable candidates for therapeutic intervention. For instance, derivatives of carbamates have been explored for their potential in treating neurological disorders, inflammation, and infectious diseases. The specific arrangement of atoms in tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate suggests that it may exhibit similar inhibitory properties, which has prompted further investigation into its pharmacological potential.

One of the most compelling aspects of this compound is its synthetic flexibility. The carbamate group can be easily modified through various chemical reactions, allowing researchers to tailor its properties for specific applications. For example, acylation or amidation reactions can be performed to introduce additional functional groups, enhancing its binding affinity or metabolic stability. This adaptability makes tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate a valuable building block in medicinal chemistry.

The pharmaceutical industry has been increasingly leveraging computational methods to predict the biological activity of novel compounds. Advanced molecular modeling techniques have enabled researchers to simulate the interactions between tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate and target proteins, providing insights into its potential therapeutic effects. These simulations have revealed that the compound may interact with enzymes involved in metabolic pathways relevant to cancer and neurodegenerative diseases. This aligns with recent findings that suggest carbamate derivatives could be effective in modulating these pathways.

In addition to its synthetic utility, tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate has shown promise in preclinical studies as a scaffold for drug discovery. Researchers have demonstrated that modifications to its structure can lead to compounds with improved pharmacokinetic profiles and reduced toxicity. For instance, optimizing the length and branching of the side chains can enhance oral bioavailability while minimizing off-target effects. Such findings underscore the importance of this compound in developing next-generation therapeutics.

The environmental impact of pharmaceutical compounds is also a critical consideration in modern drug development. Studies have explored the biodegradability of carbamate-based molecules, indicating that proper disposal methods can mitigate environmental risks. The stability provided by the tert-butyl group ensures that tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate remains effective during storage but also suggests that it can be safely metabolized by biological systems once administered.

The future directions for research on CAS NO. 1111236-12-4 are promising and multifaceted. Investigating its role in complex biological systems will be essential to fully understand its therapeutic potential. Additionally, exploring novel synthetic routes could further enhance its accessibility for industrial applications. Collaborative efforts between academic institutions and pharmaceutical companies are likely to drive innovation in this area.

In conclusion, Tert-butyl N-(3-Aminopropyl)-N-(propan-2-yl)carbamate represents a significant advancement in pharmaceutical chemistry due to its unique structure and versatile applications. Its potential as a therapeutic agent, coupled with its synthetic adaptability, positions it as a valuable asset in drug discovery efforts. As research continues to uncover new insights into its properties and applications, this compound is poised to play a crucial role in developing innovative treatments for various diseases.

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