Cas no 1060813-90-2 (3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid)

3-{4-(tert-Butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid is a protected piperazine derivative featuring a tert-butoxycarbonyl (Boc) group and a propanoic acid side chain. This compound is particularly valuable in organic synthesis and medicinal chemistry as a versatile intermediate for constructing complex molecules. The Boc group provides stability under basic conditions and selective deprotection under acidic conditions, enabling controlled functionalization. The propanoic acid moiety offers a handle for further derivatization, such as amide coupling or esterification. Its structural features make it suitable for applications in peptide mimetics, drug discovery, and scaffold diversification. The compound’s well-defined reactivity and compatibility with standard protecting group strategies enhance its utility in multistep syntheses.
3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid structure
1060813-90-2 structure
Product Name:3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid
CAS No:1060813-90-2
MF:C13H24N2O4
MW:272.340663909912
CID:2624131
PubChem ID:72211500
Update Time:2025-10-22

3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid
    • (S)-3-(4-(TERT-BUTOXYCARBONYL)-3-METHYLPIPERAZIN-1-YL)PROPANOIC ACID
    • 1240586-77-9
    • AB62047
    • 3-(4-(TERT-BUTOXYCARBONYL)-3-METHYLPIPERAZIN-1-YL)PROPANOIC ACID
    • AB62050
    • 3-{4-[(tert-butoxy)carbonyl]-3-methylpiperazin-1-yl}propanoic acid
    • 1240582-48-2
    • 1060813-90-2
    • EN300-1071406
    • AB62054
    • (R)-3-(4-(TERT-BUTOXYCARBONYL)-3-METHYLPIPERAZIN-1-YL)PROPANOIC ACID
    • Inchi: 1S/C13H24N2O4/c1-10-9-14(6-5-11(16)17)7-8-15(10)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,16,17)
    • InChI Key: HDGGNRDBQUUAMZ-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCN(CCC(=O)O)CC1C)=O

Computed Properties

  • Exact Mass: 272.17360725Da
  • Monoisotopic Mass: 272.17360725Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 338
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.4
  • Topological Polar Surface Area: 70.1?2

3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid Pricemore >>

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3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid Related Literature

Additional information on 3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid

3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid (CAS 1060813-90-2): A Comprehensive Overview

3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid (CAS 1060813-90-2) is a specialized organic compound that has garnered significant attention in the pharmaceutical and chemical research communities. This compound, often referred to as a piperazine derivative, is widely utilized in the synthesis of various bioactive molecules. Its unique structural features, including the tert-butoxycarbonyl (Boc) protecting group and the 3-methylpiperazine moiety, make it a valuable intermediate in medicinal chemistry.

The CAS 1060813-90-2 compound is particularly notable for its role in the development of drug candidates targeting neurological and inflammatory diseases. Researchers are increasingly exploring its potential in the design of small molecule inhibitors and modulators of protein-protein interactions. The presence of the Boc group in the molecule ensures stability during synthetic processes, while the propanoic acid tail provides a handle for further functionalization.

One of the most frequently asked questions about 3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid is its solubility and stability under various conditions. This compound is typically soluble in organic solvents such as dimethyl sulfoxide (DMSO) and dichloromethane (DCM), making it suitable for a wide range of chemical reactions. Its stability at room temperature is another advantage, allowing for easy storage and handling in laboratory settings.

In recent years, the demand for CAS 1060813-90-2 has surged due to its applications in peptide synthesis and combinatorial chemistry. The compound's ability to act as a building block for more complex structures has made it indispensable in high-throughput screening and drug discovery programs. Additionally, its compatibility with solid-phase synthesis techniques has further expanded its utility in modern chemical research.

The synthesis of 3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid involves a series of well-established organic reactions, including amide coupling and Boc protection. These methods ensure high purity and yield, meeting the stringent requirements of pharmaceutical-grade materials. Researchers often optimize these protocols to achieve scalability, a critical factor for industrial applications.

Another area of interest is the compound's potential in cancer research. Preliminary studies suggest that derivatives of CAS 1060813-90-2 may exhibit anti-proliferative activity against certain cancer cell lines. This has sparked a wave of investigations into its mechanism of action and structure-activity relationships, with the aim of developing novel therapeutic agents.

From a commercial perspective, 3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid is available from several reputable suppliers, often with detailed certificates of analysis (CoA) to ensure quality and consistency. Pricing and availability can vary depending on the quantity and purity required, but the compound is generally accessible to academic and industrial researchers alike.

In conclusion, 3-{4-(tert-butoxy)carbonyl-3-methylpiperazin-1-yl}propanoic acid (CAS 1060813-90-2) is a versatile and valuable compound in the field of chemical and pharmaceutical research. Its unique properties and wide-ranging applications make it a subject of ongoing study and innovation. As research continues to uncover new uses for this molecule, its importance in drug discovery and development is likely to grow even further.

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