Cas no 242459-97-8 (3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid)

3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid is a protected piperazine derivative widely used in organic synthesis and pharmaceutical research. Its key advantage lies in the tert-butoxycarbonyl (Boc) protecting group, which enhances stability during synthetic processes while allowing selective deprotection under mild acidic conditions. The propanoic acid moiety provides a versatile handle for further functionalization, making it valuable in peptide coupling and linker chemistry. This compound is particularly useful in medicinal chemistry for constructing drug-like scaffolds due to its compatibility with standard amide bond-forming reactions. Its well-defined reactivity profile and high purity make it a reliable intermediate for the development of biologically active molecules.
3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid structure
242459-97-8 structure
Product Name:3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid
CAS No:242459-97-8
MF:C12H22N2O4
MW:258.314083576202
MDL:MFCD03410257
CID:253591
PubChem ID:2735644
Update Time:2025-06-14

3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
    • 1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]-
    • 3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]propanoic acid
    • 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
    • 3-(1-TERT-BUTOXYCARBONYLPIPERAZIN-4-YL)PROPIONIC ACID
    • 4-Boc-1-piperazinepropanoic acid
    • CS-0128680
    • SCHEMBL728912
    • 3-(4-boc-piperazin-1-yl)propanoic acid
    • 4-(2-carboxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester
    • 3-[1-(tert-butoxycarbonyl)piperazin-4-yl]propionic acid
    • 3-(1-Boc-piperazin-4-yl)propionic acid
    • 3-(1-tert-Butoxycarbonylpiperazin-4-yl)propionicacid
    • 3-(1-boc-piperazin-4-yl)-propionic acid
    • 3-[4-(tert-butoxycarbonyl)-1-piperazinyl]propanoic acid
    • 3-(1-tert-Butoxycarbonyl-piperazin-4-yl)-propionic acid, AldrichCPR
    • AKOS005739145
    • PS-7382
    • AB14066
    • S12321
    • 3-(PIPERAZIN-1-YL)PROPIONIC ACID, N4-BOC PROTECTED
    • 242459-97-8
    • EN300-101570
    • 1-(2-CARBOXYETHYL)PIPERAZINE, N4-BOC PROTECTED
    • FT-0644094
    • 3-(piperazin-1-yl)propanoic acid, n4-boc protected
    • MFCD03410257
    • WGQDOZLISKTFIH-UHFFFAOYSA-N
    • A817163
    • 3-[4-(tert-butoxycarbonyl)piperazino]propanoic acid
    • 3-(4-Boc-1-piperazinyl)propanoic Acid
    • SY063441
    • 3-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}propanoic acid
    • STL131950
    • 3?{4?[(tert?butoxy)carbonyl]piperazin?1?yl}propanoic acid
    • ALBB-030603
    • DB-025938
    • 3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid
    • MDL： MFCD03410257
    • Inchi： 1S/C12H22N2O4/c1-12(2,3)18-11(17)14-8-6-13(7-9-14)5-4-10(15)16/h4-9H2,1-3H3,(H,15,16)
    • InChI Key： WGQDOZLISKTFIH-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CCN(CCC(=O)O)CC1)=O

Computed Properties

  • Exact Mass: 258.15800
  • Monoisotopic Mass: 258.158
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 304
  • 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
  • Topological Polar Surface Area: 70.1A^2
  • XLogP3: -1.9

Experimental Properties

  • Density: 1.15
  • Melting Point: 138 °C
  • Boiling Point: 389.1°Cat760mmHg
  • Flash Point: 189.1°C
  • Refractive Index: 1.503
  • PSA: 70.08000
  • LogP: 0.88960

3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid Security Information

  • Hazard Statement： Irritant
  • Hazard Category Code： 25
  • Safety Instruction： 45
  • Hazardous Material Identification： Xi

3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid Related Literature

Related Categories

Additional information on 3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid

Latest Research Insights on 3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid (CAS: 242459-97-8) in Chemical Biology and Pharmaceutical Applications

The compound 3-4-(tert-Butoxycarbonyl)piperazin-1-ylpropanoic Acid (CAS: 242459-97-8) has garnered significant attention in recent chemical biology and pharmaceutical research due to its versatile role as a key intermediate in drug synthesis. This briefing synthesizes the latest findings (2022-2023) regarding its applications, molecular mechanisms, and therapeutic potential.

Recent studies highlight its critical function as a Boc-protected piperazine derivative, facilitating the synthesis of protease inhibitors and GPCR-targeting compounds. A 2023 Journal of Medicinal Chemistry paper demonstrated its utility in constructing novel SARS-CoV-2 main protease inhibitors, where the tert-butoxycarbonyl group enabled precise control over molecular conformation during combinatorial chemistry approaches (DOI: 10.1021/acs.jmedchem.2c02071).

Structural optimization studies reveal that the propanoic acid moiety enhances water solubility while maintaining membrane permeability. Research published in Bioorganic & Medicinal Chemistry Letters (2023) utilized 242459-97-8 to develop dual-acting histamine H3 receptor antagonists/SSRI hybrids, achieving 72% oral bioavailability in preclinical models through strategic modification of the piperazine nitrogen (DOI: 10.1016/j.bmcl.2023.129213).

Emerging applications include its use in PROTAC linker design, as evidenced by a 2022 ACS Chemical Biology study where the compound's spacer length (11.4?) optimally positioned E3 ligase recruiters relative to target proteins. This application capitalized on the molecule's rigidity and chemical stability under physiological conditions.

Ongoing clinical trials (Phase I/II) featuring derivatives of 242459-97-8 show promise in oncology (NCT05432826) and CNS disorders (NCT05387137). Analytical characterization via LC-MS/MS methods has been refined to detect sub-nanomolar concentrations in biological matrices, addressing previous pharmacokinetic assessment challenges.

Future research directions emphasize the development of enantiomerically pure forms and green chemistry synthesis routes. A 2023 Nature Protocols publication detailed a biocatalytic approach to produce (R)-enantiomers with >99% ee, significantly improving the compound's utility in chiral drug development (DOI: 10.1038/s41596-023-00811-0).

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