Cas no 56834-42-5 (Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester)

Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester is a diester compound with applications in organic synthesis and specialty chemical formulations. Its structure, featuring both tert-butyl and ethyl ester groups, provides steric hindrance and controlled reactivity, making it useful as a building block for complex molecules. The compound’s stability under mild conditions and compatibility with various reaction environments enhance its utility in fine chemical and pharmaceutical intermediates. Its ester functionalities allow for selective transformations, such as hydrolysis or transesterification, facilitating tailored modifications. The product is typically handled under standard laboratory conditions, with appropriate precautions for ester handling.
Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester structure
56834-42-5 structure
Product Name:Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester
CAS No:56834-42-5
MF:C10H18O4
MW:202.247523784637
CID:347728
PubChem ID:13198666
Update Time:2025-05-30

Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester
    • 3-O-tert-butyl 1-O-ethyl 2-methylpropanedioate
    • tert-butyl ethyl methylmalonate
    • 56834-42-5
    • 1-tert-butyl 3-ethyl 2-methylmalonate
    • ALHHNDQKFRHCOJ-UHFFFAOYSA-N
    • SCHEMBL1455828
    • F95239
    • DTXSID90526729
    • tert-Butyl ethyl methylpropanedioate
    • Inchi: 1S/C10H18O4/c1-6-13-8(11)7(2)9(12)14-10(3,4)5/h7H,6H2,1-5H3
    • InChI Key: ALHHNDQKFRHCOJ-UHFFFAOYSA-N
    • SMILES: O(C(C(C(=O)OCC)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 202.12054
  • Monoisotopic Mass: 202.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 215
  • 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: 2.1
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

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Additional information on Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester

Comprehensive Guide to Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester (CAS No. 56834-42-5)

Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester (CAS No. 56834-42-5) is a specialized organic compound widely used in pharmaceutical and fine chemical industries. This ester derivative of propanedioic acid is valued for its unique chemical properties, making it a crucial intermediate in synthesizing active pharmaceutical ingredients (APIs) and specialty chemicals. With increasing demand for sustainable and efficient chemical processes, this compound has gained attention in green chemistry applications.

The molecular structure of Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester features a central propanedioic acid backbone modified with methyl and tert-butyl ethyl ester groups. This configuration enhances its stability and reactivity, making it suitable for controlled chemical reactions. Researchers frequently search for "synthesis of propanedioic acid derivatives" or "applications of tert-butyl ethyl esters," reflecting growing interest in this compound's potential.

In pharmaceutical applications, CAS 56834-42-5 serves as a key building block for drug development. Its ester groups provide excellent solubility characteristics, addressing common formulation challenges. Recent studies exploring "ester prodrug design" and "improved drug bioavailability" often reference compounds like this due to their ability to enhance therapeutic molecule delivery. The compound's stability under various pH conditions makes it particularly valuable for oral medication formulations.

The chemical industry utilizes Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester in specialty polymer production. Its dual ester functionality allows for controlled polymerization processes, answering industry needs for "high-performance polymer intermediates." Manufacturers searching for "custom ester synthesis" or "specialty chemical intermediates" frequently encounter this compound in technical literature and supplier catalogs.

Analytical characterization of 56834-42-5 typically involves advanced techniques like GC-MS, HPLC, and NMR spectroscopy. Quality control laboratories often search for "analytical methods for propanedioic acid esters" to ensure product purity and consistency. The compound's well-defined spectral signatures make it relatively easy to identify and quantify in complex mixtures.

Environmental considerations surrounding Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester have become increasingly important. While not classified as hazardous, proper handling and disposal procedures remain essential. Industry professionals frequently inquire about "biodegradable ester compounds" and "green chemistry alternatives," reflecting the sector's shift toward sustainable practices.

Market trends indicate steady growth for CAS 56834-42-5, particularly in Asia-Pacific pharmaceutical markets. Suppliers report increased queries for "bulk propanedioic acid derivatives" and "custom ester manufacturing." The compound's versatility ensures continued demand across multiple industrial sectors, from pharmaceuticals to advanced material science applications.

Storage and handling recommendations for Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester emphasize protection from moisture and extreme temperatures. Technical datasheets often highlight its compatibility with common laboratory materials, addressing frequent searches for "chemical compatibility of specialty esters." Proper storage maintains the compound's stability and extends shelf life.

Future research directions for 56834-42-5 include exploring its potential in nanotechnology applications and as a precursor for novel materials. Scientific literature shows growing interest in "ester-functionalized nanomaterials" and "molecular building blocks for advanced materials," suggesting expanding applications beyond traditional uses.

Quality specifications for Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester typically require ≥98% purity, with strict limits on residual solvents. Analytical certificates often reference international pharmacopeia standards, responding to industry demands for "pharmaceutical-grade ester compounds." These stringent requirements ensure suitability for critical applications.

Transport regulations classify CAS 56834-42-5 as non-hazardous for most shipping methods. However, safety data sheets recommend standard chemical handling precautions. Logistics professionals frequently search for "chemical shipping classifications" and "international transport regulations for specialty chemicals" when planning shipments.

Comparative studies between Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester and similar esters highlight its balanced properties of reactivity and stability. Research into "structure-activity relationships of ester compounds" provides valuable insights for selecting appropriate intermediates in synthetic pathways.

The synthesis of 56834-42-5 typically involves esterification reactions under controlled conditions. Process chemists often investigate "catalytic esterification methods" and "green synthesis routes for specialty esters" to improve yield and reduce environmental impact.

Patent literature reveals numerous applications of Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester in proprietary formulations. Intellectual property searches for "ester compounds in drug patents" or "specialty chemical formulations" frequently cite this compound as a valuable intermediate.

Academic research continues to explore new derivatives of propanedioic acid, with 1,1-dimethylethyl ethyl ester variants serving as important reference compounds. Literature searches for "propanedioic acid derivative synthesis" yield numerous studies building upon this core structure.

As regulatory requirements evolve, documentation for CAS 56834-42-5 increasingly includes detailed impurity profiles and stability data. Quality assurance professionals prioritize searches for "ICH guidelines for chemical impurities" and "pharmaceutical intermediate specifications" when evaluating this compound.

The global supply chain for Propanedioic acid, methyl-, 1,1-dimethylethyl ethyl ester remains robust, with multiple qualified manufacturers worldwide. Procurement specialists often research "reliable chemical suppliers" and "global specialty chemical distributors" to source this material consistently.

Looking ahead, 56834-42-5 is poised to maintain its importance in chemical synthesis, particularly as pharmaceutical and material science applications continue to advance. The compound's unique combination of properties ensures its relevance in developing next-generation chemical products and processes.

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