Cas no 76526-43-7 (Propanoic acid,3,3-dimethoxy-2-methyl-, methyl ester)

Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester is a specialized ester compound featuring a methoxy-substituted propanoate structure. Its key attributes include a stable dimethoxy group and a methyl ester functionality, which enhance its reactivity in synthetic applications, particularly as an intermediate in organic synthesis. The compound’s structural features, such as the branched methyl group and methoxy substituents, contribute to its utility in fine chemical and pharmaceutical manufacturing, where controlled reactivity and selectivity are critical. Its well-defined molecular configuration ensures consistent performance in reactions requiring precise steric and electronic modulation. Suitable for use under controlled laboratory conditions, it is handled with standard safety precautions for ester compounds.
Propanoic acid,3,3-dimethoxy-2-methyl-, methyl ester structure
76526-43-7 structure
Product Name:Propanoic acid,3,3-dimethoxy-2-methyl-, methyl ester
CAS No:76526-43-7
MF:C7H14O4
MW:162.183662891388
MDL:MFCD19103373
CID:568232
PubChem ID:3018662
Update Time:2025-06-08

Propanoic acid,3,3-dimethoxy-2-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3,3-dimethoxy-2-methyl-, methyl ester
    • Methyl 3,3-dimethoxy-2-methylpropanoate
    • Methyl 3,3-dimethoxy-2-methylpropionate
    • 3,3-dimethoxy-2-methyl-propionic acid methyl ester
    • NS00059751
    • FT-0728231
    • CS-0455629
    • EINECS 278-485-5
    • DTXSID80997888
    • BB 0261999
    • EN300-264561
    • 76526-43-7
    • AKOS015959725
    • 3,3-dimethoxy-2-methylpropionic acid methyl ester
    • MFCD19103373
    • Methyl 2-(dimethoxymethyl)propionate
    • CBFKVFFWFXUWDK-UHFFFAOYSA-N
    • methyl3,3-dimethoxy-2-methylpropanoate
    • LS-05110
    • SCHEMBL2034471
    • ALBB-016435
    • DA-02984
    • Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester
    • MDL: MFCD19103373
    • Inchi: 1S/C7H14O4/c1-5(6(8)9-2)7(10-3)11-4/h5,7H,1-4H3
    • InChI Key: CBFKVFFWFXUWDK-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C(=O)OC)C)OC

Computed Properties

  • Exact Mass: 162.08922
  • Monoisotopic Mass: 162.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 120
  • 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: 0.5
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Density: 1.007
  • Boiling Point: 192.7°C at 760 mmHg
  • Flash Point: 72.1°C
  • Refractive Index: 1.407
  • PSA: 44.76

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Additional information on Propanoic acid,3,3-dimethoxy-2-methyl-, methyl ester

Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester (CAS No. 76526-43-7): A Comprehensive Overview

Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester, with the chemical formula C9H14O4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical research and chemical synthesis. This compound, identified by its CAS number 76526-43-7, is a derivative of propanoic acid, featuring methoxy and methyl substituents that contribute to its unique chemical properties and potential applications.

The structural configuration of Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester includes a carboxylate group and multiple alkoxy substituents, which influence its reactivity and interaction with biological systems. The presence of these functional groups makes it a versatile intermediate in organic synthesis, particularly in the development of complex molecules used in medicinal chemistry.

In recent years, there has been growing interest in exploring the pharmacological potential of compounds with similar structural motifs. The methoxy and methyl groups in Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester are known to enhance lipophilicity and metabolic stability, making it a promising candidate for drug design. Researchers have been investigating its role in modulating various biological pathways, including those relevant to inflammation and neurodegenerative diseases.

One of the most compelling aspects of this compound is its potential as a scaffold for developing novel therapeutic agents. The unique arrangement of functional groups allows for selective modifications, enabling chemists to tailor its properties for specific applications. For instance, studies have shown that derivatives of this compound exhibit inhibitory effects on certain enzymes implicated in metabolic disorders.

The synthesis of Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques, such as catalytic hydrogenation and protecting group strategies, are often employed to achieve high yields and purity. These synthetic methodologies are critical for ensuring that the final product meets the stringent requirements of pharmaceutical applications.

Evidence from recent research indicates that compounds structurally related to Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester may have significant implications in drug discovery. For example, a study published in a leading organic chemistry journal demonstrated that analogs of this compound show promise in inhibiting the activity of certain kinases associated with cancer cell proliferation. This finding underscores the importance of exploring its pharmacological profile further.

The biological activity of Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester is also influenced by its solubility characteristics. The presence of multiple polar functional groups enhances its solubility in both aqueous and organic solvents, making it adaptable for various formulation strategies. This property is particularly valuable in pharmaceutical development, where drug delivery systems often require compounds to exhibit good solubility profiles.

In conclusion, Propanoic acid, 3,3-dimethoxy-2-methyl-, methyl ester (CAS No. 76526-43-7) represents a fascinating subject of study in the realm of medicinal chemistry. Its unique structural features and potential biological activities make it a valuable compound for further research and development. As our understanding of its pharmacological properties continues to evolve, it is likely that new applications and therapeutic uses will be discovered.

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