Cas no 951789-86-9 ((S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid)

(S)-2-((tert-Butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid is a chiral building block commonly used in peptide synthesis and pharmaceutical research. Its key structural features include a tert-butoxycarbonyl (Boc) protecting group, which enhances stability during synthetic processes, and a 1-methylcyclohexyl moiety that contributes to steric hindrance, influencing stereoselectivity in reactions. The carboxylic acid functionality allows for further derivatization, making it a versatile intermediate. This compound is particularly valuable in the preparation of enantiomerically pure compounds due to its well-defined stereochemistry. Its high purity and consistent performance make it suitable for applications in medicinal chemistry and asymmetric synthesis. Proper storage under anhydrous conditions is recommended to maintain stability.
(S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid structure
951789-86-9 structure
Product Name:(S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid
CAS No:951789-86-9
MF:C14H25NO4
MW:271.352604627609
CID:5141027
PubChem ID:57785383
Update Time:2025-10-21

(S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, (αS)-
    • (2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
    • (S)-[(tert-butoxycarbonyl)amino](1-methylcyclohexyl)acetic acid
    • (2S)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
    • (S)-tert-Butoxycarbonylamino-(1-methyl-cyclohexyl)-acetic acid
    • E88251
    • PS-16502
    • (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid
    • PLAQGKKUVFMRFR-SNVBAGLBSA-N
    • SCHEMBL583877
    • (2S)-2-(Boc-amino)-2-(1-methylcyclohexyl)acetic Acid
    • 951789-86-9
    • Inchi: 1S/C14H25NO4/c1-13(2,3)19-12(18)15-10(11(16)17)14(4)8-6-5-7-9-14/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)/t10-/m1/s1
    • InChI Key: PLAQGKKUVFMRFR-SNVBAGLBSA-N
    • SMILES: [C@H](C1(CCCCC1)C)(C(=O)O)NC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 271.17835828g/mol
  • 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: 5
  • Complexity: 340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 75.6?2

(S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid Pricemore >>

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Additional information on (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid

Comprehensive Overview of (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid (CAS No. 951789-86-9)

(S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid is a specialized chiral compound widely utilized in pharmaceutical research and organic synthesis. With the CAS number 951789-86-9, this compound has garnered significant attention due to its unique structural features and potential applications in drug development. The presence of the tert-butoxycarbonyl (Boc) protecting group and the 1-methylcyclohexyl moiety makes it a valuable intermediate for synthesizing peptides and other bioactive molecules.

In recent years, the demand for chiral building blocks like (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid has surged, driven by advancements in asymmetric synthesis and the growing focus on enantioselective drug design. Researchers and pharmaceutical companies are increasingly exploring its utility in creating novel therapeutics, particularly for central nervous system (CNS) disorders and metabolic diseases. The compound's high purity and stereochemical integrity are critical for ensuring the efficacy and safety of final drug products.

One of the most searched questions related to this compound is: "What is the role of Boc-protected amino acids in peptide synthesis?" The answer lies in the compound's ability to safeguard the amino group during complex reactions, enabling selective deprotection and subsequent coupling. This property is indispensable for constructing peptides with precise sequences, a technique pivotal in developing targeted therapies. Additionally, the 1-methylcyclohexyl group contributes to enhanced lipophilicity, which can improve membrane permeability—a hot topic in drug delivery optimization.

From an SEO perspective, keywords such as "Boc-amino acid derivatives", "chiral synthesis intermediates", and "CAS 951789-86-9 applications" are frequently queried by chemists and industry professionals. These terms reflect the compound's relevance in cutting-edge research, including proteomics and bioconjugation. Moreover, the rise of AI-driven drug discovery has further amplified interest in such building blocks, as they are often used to train machine learning models for predicting molecular interactions.

Another trending topic is the compound's potential in green chemistry. With sustainability becoming a priority, researchers are investigating eco-friendly synthesis routes for (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid, minimizing waste and energy consumption. This aligns with global initiatives like the UN Sustainable Development Goals (SDGs), particularly Goal 12 (Responsible Consumption and Production).

In summary, (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid (CAS No. 951789-86-9) is a versatile and high-value compound with broad applications in medicinal chemistry and beyond. Its unique structural attributes, combined with the growing demand for enantiopure intermediates, position it as a critical component in modern scientific innovation. Whether you're exploring peptide therapeutics or sustainable synthesis, this compound offers unparalleled opportunities for advancement.

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