Cas no 1119-43-3 (1,6-dimethyl hexa-2,4-dienedioate)

1,6-Dimethyl hexa-2,4-dienedioate is a diester derivative of sorbic acid, characterized by its conjugated diene structure and ester functional groups. This compound is primarily utilized as an intermediate in organic synthesis, particularly in Diels-Alder reactions, where its diene moiety facilitates cycloaddition processes. The methyl ester groups enhance solubility in organic solvents, improving reactivity in various synthetic applications. Its stability and well-defined molecular structure make it a valuable reagent for producing complex cyclic compounds in pharmaceuticals and fine chemicals. Additionally, the conjugated system allows for potential applications in polymer chemistry and materials science, where controlled reactivity is essential. Proper handling under inert conditions is recommended to preserve its integrity.
1,6-dimethyl hexa-2,4-dienedioate structure
1119-43-3 structure
Product Name:1,6-dimethyl hexa-2,4-dienedioate
CAS No:1119-43-3
MF:C8H10O4
MW:170.162602901459
MDL:MFCD00185584
CID:148266
PubChem ID:5370244
Update Time:2025-08-03

1,6-dimethyl hexa-2,4-dienedioate Chemical and Physical Properties

Names and Identifiers

    • 2,4-Hexadienedioicacid, 1,6-dimethyl ester, (2E,4E)-
    • trans,trans-Dimethyl muconate
    • Dimethyl (E,E)-muconate
    • Dimethyl trans,trans-muconate
    • NSC 167514
    • 1,6-dimethyl hexa-2,4-dienedioate
    • Dimethyl (E,E)-2,4-hexadienoate
    • E2B8XTM21E
    • DIMETHYL 2,4-HEXADIENE-1,6-DIOATE
    • 2,4-Hexadienedioic acid, dimethyl ester,
    • 1733-37-5
    • 1,6-DIMETHYL (2E,4E)-HEXA-2,4-DIENEDIOATE
    • (1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester
    • starbld0008151
    • BAA11943
    • Muconic acid (E,E)-form dimethyl ester [MI]
    • trans,trans-muconic acid dimethyl ester
    • dimethyl (2E,4E)-hexa-2,4-dienedioate
    • EN300-1700269
    • dimethyl hexa-2,4-dienedioate
    • 2,4-Hexadienedioic acid, 1,6-dimethyl ester, (2E,4E)-
    • (E,E)-dimethyl muconate
    • SCHEMBL821014
    • 2, dimethyl ester, (E,E)-
    • 2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER
    • 1119-43-3
    • Dimethyl (E,Z)-muconate
    • UNII-E2B8XTM21E
    • dimethyl trans-transmuconate
    • Q27276777
    • 2,4-Hexadienedioic acid, dimethyl ester, (E,Z)-
    • NSC167514
    • EN300-2010616
    • Dimethyl muconate, (E,E)-
    • dimethyl trans-muconate
    • NSC-167514
    • trans,trans dimethyl muconate
    • Dimethyl (E,Z)-2,4-hexadienedioate
    • (2E,4E)-muconic acid dimethyl ester
    • MDL: MFCD00185584
    • Inchi: 1S/C8H10O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H,1-2H3/b5-3+,6-4+
    • InChI Key: PXYBXMZVYNWQAM-GGWOSOGESA-N
    • SMILES: O(C)C(/C=C/C=C/C(=O)OC)=O

Computed Properties

  • Exact Mass: 170.0579
  • Monoisotopic Mass: 170.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6A^2
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.099
  • Melting Point: 157-158 oC
  • Boiling Point: 251 oC
  • Flash Point: 122 oC
  • Refractive Index: 1.464
  • PSA: 52.6
  • LogP: 0.44480

1,6-dimethyl hexa-2,4-dienedioate Pricemore >>

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1,6-dimethyl hexa-2,4-dienedioate Related Literature

Additional information on 1,6-dimethyl hexa-2,4-dienedioate

Compound CAS No. 1119-43-3: 1,6-Dimethyl Hexa-2,4-Dienedioate

1,6-Dimethyl Hexa-2,4-Dienedioate (CAS No. 1119-43-3) is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a six-carbon chain with two methyl groups at the terminal positions and two double bonds at positions 2 and 4. The presence of these double bonds contributes to its reactivity and potential applications in various chemical reactions.

Recent studies have highlighted the importance of dienedioates like 1,6-dimethyl hexa-2,4-dienedioate in the synthesis of advanced materials. For instance, researchers have explored the use of this compound in the development of novel polymers with enhanced mechanical properties. The ability of dienedioates to undergo Diels-Alder reactions has been particularly valuable in creating cross-linked polymer networks that exhibit improved durability and thermal stability.

The synthesis of 1,6-dimethyl hexa-2,4-dienedioate typically involves multi-step organic reactions, including oxidation and esterification processes. These steps are carefully optimized to ensure high yield and purity of the final product. The compound's structure makes it highly versatile, enabling its use in a wide range of applications from pharmaceuticals to agrochemicals.

In terms of physical properties, 1,6-dimethyl hexa-2,4-dienedioate exhibits a melting point of approximately -5°C and a boiling point around 78°C under standard conditions. Its solubility in organic solvents such as dichloromethane and ethyl acetate makes it suitable for various solution-based reactions. The compound's stability under ambient conditions is another key factor that contributes to its practicality in industrial applications.

Recent advancements in analytical techniques have provided deeper insights into the molecular behavior of dienedioates like 1,6-dimethyl hexa-2,4-dienedioate. For example, nuclear magnetic resonance (NMR) spectroscopy has been instrumental in confirming the compound's structure and purity. Additionally, mass spectrometry has enabled researchers to study the fragmentation patterns of this compound during thermal decomposition, which is crucial for understanding its stability under different conditions.

The application of dienedioates in biochemistry has also garnered attention. Studies have shown that certain derivatives of dienedioates, including 1,6-dimethyl hexa-2,4-dienedioate, can act as inhibitors for specific enzymes involved in metabolic pathways. This opens up possibilities for their use in drug discovery and development.

In conclusion, compound CAS No. 1119-43-3, or 1,6-dimethyl hexa-2,4-dienedioate, is a versatile compound with a wide range of applications across multiple disciplines. Its unique structure and reactivity make it an invaluable tool in organic synthesis and materials science. As research continues to uncover new potential uses for this compound, its significance in both academic and industrial settings is expected to grow further.

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