Cas no 112106-16-8 ((R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid)

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid is a chiral carboxylic acid derivative featuring a tert-butoxy carbonyl group. Its stereospecific (R)-configuration makes it valuable for asymmetric synthesis and pharmaceutical intermediates, particularly in the preparation of enantiomerically pure compounds. The tert-butyl ester moiety enhances stability, facilitating handling and storage under standard conditions. This compound is useful in peptide synthesis, catalysis, and medicinal chemistry research, where precise chirality is critical. Its structural features allow for selective deprotection or further functionalization, offering versatility in multi-step synthetic routes. High purity grades ensure reproducibility in sensitive applications. Suitable for use in organic solvents, it demonstrates good solubility in common polar aprotic media.
(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid structure
112106-16-8 structure
Product Name:(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid
CAS No:112106-16-8
MF:C11H19O4
MW:215.266164064407
MDL:MFCD30530776
CID:3033923
PubChem ID:18644121
Update Time:2025-10-29

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid Chemical and Physical Properties

Names and Identifiers

    • (R)-2-(2-(叔丁氧基)-2-氧代乙基)戊酸
    • Butanedioic acid, propyl-, 4-(1,1-dimethylethyl) ester, (R)-
    • (2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
    • (R)-2-(2-(tert-Butoxy)-2-oxoethyl)pentanoic acid
    • AKOS030630263
    • 112106-16-8
    • CS-0102863
    • SCHEMBL7051239
    • CS-16741
    • DB-210832
    • (2R)-2-[2-(tert-butoxy)-2-oxoethyl]pentanoic acid
    • (R)-2-(2-(tert-Butoxy)-2-oxoethyl)pentanoicacid
    • (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid
    • MDL: MFCD30530776
    • Inchi: 1S/C11H20O4/c1-5-6-8(10(13)14)7-9(12)15-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,14)/p-1
    • InChI Key: FPXXLDXAXQPOIJ-UHFFFAOYSA-M
    • SMILES: O(C(CC(C(=O)[O-])CCC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 215.12833408 g/mol
  • Monoisotopic Mass: 215.12833408 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 222
  • 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: 2.7
  • Topological Polar Surface Area: 66.4
  • Molecular Weight: 215.27

Experimental Properties

  • Melting Point: NA
  • Boiling Point: NA

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid Security Information

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid Pricemore >>

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Additional information on (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid: A Comprehensive Overview

(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid, identified by the CAS number 112106-16-8, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, with its unique structure, has garnered attention due to its potential applications in drug development and as a building block in organic synthesis. The molecule consists of a pentanoic acid backbone with a substituted ethyl group, where the substituents include a tert-butoxy group and a ketone moiety. These structural features contribute to its distinct chemical properties and reactivity.

The synthesis of (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid typically involves multi-step organic reactions, often leveraging stereochemistry to achieve the desired configuration at the chiral center. Recent advancements in asymmetric catalysis have enabled more efficient and selective methods for synthesizing this compound, reducing production costs and enhancing purity. The use of biocatalysts, such as lipases or enzymes, has also been explored to facilitate enantioselective syntheses, further underscoring its importance in green chemistry.

From a physical standpoint, this compound exhibits a melting point of approximately 135°C and is sparingly soluble in water but readily dissolves in organic solvents like dichloromethane and ethyl acetate. Its solubility characteristics make it suitable for various analytical techniques, including high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy. The presence of the tert-butoxy group imparts steric hindrance, which influences the compound's reactivity in nucleophilic substitutions and other transformations.

Recent studies have highlighted the potential of (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid as an intermediate in the synthesis of bioactive molecules. For instance, researchers have employed this compound as a precursor in the development of peptide-based drugs targeting various therapeutic areas, including oncology and neurodegenerative diseases. Its role as an intermediate allows for the construction of complex molecular architectures with high precision.

In terms of biological activity, preliminary assays have demonstrated that this compound exhibits moderate inhibitory effects on certain enzymes implicated in inflammatory processes. While these findings are still in their early stages, they suggest potential avenues for further exploration in drug discovery programs. Collaborative efforts between academic institutions and pharmaceutical companies are currently underway to assess its pharmacokinetic profile and safety parameters.

The application of computational chemistry tools has significantly enhanced our understanding of the molecular properties of (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid. Quantum mechanical calculations have provided insights into its electronic structure, enabling predictions about its reactivity under different reaction conditions. Additionally, molecular docking studies have revealed potential binding modes with target proteins, offering valuable guidance for rational drug design.

Looking ahead, the continued investigation into the properties and applications of this compound is expected to yield further breakthroughs. Its versatility as both a synthetic intermediate and a potential therapeutic agent positions it as a key player in future research endeavors. As advancements in synthetic methodology and biological screening continue to evolve, so too will our understanding of this intriguing molecule.

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