Cas no 1013980-15-8 (cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid)

Technical Introduction: cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid is a specialized cyclic amino acid derivative featuring a tert-butoxycarbonyl (Boc) protecting group at the 2-position. Its rigid cyclooctane backbone and stereospecific cis-configuration make it valuable for peptide synthesis and medicinal chemistry applications, particularly in constructing constrained scaffolds. The Boc group enhances stability during synthetic manipulations, while the carboxylic acid functionality allows for further derivatization. This compound is particularly useful in the design of peptidomimetics and bioactive molecules, where conformational restriction is critical for modulating target interactions. Its well-defined structure ensures reproducibility in research and development settings.
cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid structure
1013980-15-8 structure
Product Name:cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid
CAS No:1013980-15-8
MF:C14H25NO4
MW:271.352604627609
MDL:MFCD09475429
CID:874599
PubChem ID:91758011
Update Time:2025-10-29

cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • &nbsp
    • Boc-NH-cis-cyclooctane-COOH
    • cis-2-Tert-butoxycarbonylamino-cyclooctanecarboxylic acid
    • 1335031-87-2
    • N-Boc-(+/-)cis-2-aminocyclo-octanecarboxylic acid
    • AKOS030253708
    • (1S,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclooctane-1-carboxylic acid
    • TS-7120
    • EN300-1278257
    • 1013980-15-8
    • rac-(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclooctane-1-carboxylic acid
    • MFCD09475429
    • cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid
    • MDL: MFCD09475429
    • Inchi: 1S/C14H25NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8-10(11)12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t10-,11+/m0/s1
    • InChI Key: XCJDZYKLPCSUNZ-WDEREUQCSA-N
    • SMILES: O(C(C)(C)C)C(N[C@@H]1CCCCCC[C@@H]1C(=O)O)=O

Computed Properties

  • Exact Mass: 271.17800
  • Monoisotopic Mass: 271.17835828g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 322
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • PSA: 75.63000
  • LogP: 3.32560

cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid Pricemore >>

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Additional information on cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid

Comprehensive Overview of cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid (CAS No. 1013980-15-8)

cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid (CAS No. 1013980-15-8) is a specialized cyclooctane derivative widely utilized in pharmaceutical research, organic synthesis, and peptide chemistry. This compound features a unique cis-configuration and a tert-butoxycarbonyl (Boc) protecting group, making it invaluable for controlled reactions in drug discovery. Its molecular structure combines an eight-membered ring with carboxyl and Boc-protected amino functionalities, offering versatility in stereoselective transformations.

In recent years, the demand for Boc-protected amino acids like this compound has surged due to their role in peptide-based therapeutics, a hot topic in biopharmaceutical innovation. Researchers frequently search for "Boc-cyclooctane derivatives" or "CAS 1013980-15-8 applications" to explore its potential in targeted drug delivery and enzyme inhibition studies. The compound’s stability under acidic conditions—owing to the Boc group—makes it ideal for solid-phase peptide synthesis (SPPS), a technique dominating modern peptide production.

The synthesis of cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid involves multi-step organic reactions, including cyclooctane ring functionalization and Boc protection. Its chiral center at the 2-position is critical for producing enantiomerically pure intermediates, a key focus area for developers of small-molecule drugs. Analytical techniques like HPLC and NMR are essential for verifying its purity, as impurities could affect downstream applications in bioconjugation or prodrug design.

From an industrial perspective, this compound aligns with the growing interest in sustainable chemistry. Optimized synthetic routes reduce waste, addressing the "green chemistry" queries prevalent in scientific forums. Additionally, its compatibility with automated synthesis platforms caters to the trend of high-throughput screening in drug development. Laboratories often seek "CAS 1013980-15-8 suppliers" or "Boc-cyclooctane carboxylate price" to source high-purity batches for kinase inhibitor research or GPCR-targeted projects.

Beyond pharmaceuticals, cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid finds niche applications in material science, particularly in designing bioactive coatings and polymeric carriers. Its amphiphilic properties enable the creation of self-assembling nanostructures, a trending topic in nanotechnology searches. The compound’s logP value and solubility profile are frequently analyzed to predict its behavior in lipid bilayer interactions, a concern for drug permeability studies.

Regulatory compliance is another critical aspect. While not classified as hazardous, proper storage at 2–8°C is recommended to maintain stability. Safety data sheets (SDS) emphasize handling precautions, reflecting the broader industry focus on "lab chemical safety"—a top-searched term among researchers. The compound’s non-hygroscopic nature simplifies storage, unlike many peptide precursors requiring desiccants.

In summary, cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic Acid (CAS No. 1013980-15-8) bridges multiple scientific disciplines, from medicinal chemistry to nanomaterials engineering. Its adaptability to Boc-deprotection protocols and compatibility with cross-coupling reactions ensure its relevance in cutting-edge research, answering the frequent query: "How to use Boc-protected cyclooctane acids in catalysis?" As the pharmaceutical industry shifts toward precision medicine, such tailored building blocks will remain indispensable.

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