Cas no 36978-36-6 ([1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester)

[1,1'-Biphenyl]-2,3,3',4'-tetracarboxylic acid, 2,3,3',4'-tetramethyl ester is a biphenyl-based tetracarboxylate derivative with ester functional groups. This compound is characterized by its rigid biphenyl core and four methyl ester substituents, which enhance its solubility in organic solvents while retaining structural stability. The tetramethyl ester configuration facilitates further chemical modifications, making it a versatile intermediate in organic synthesis, particularly for polyimide and polymer applications. Its well-defined aromatic structure contributes to thermal stability and controlled reactivity, suitable for high-performance material development. The compound is typically synthesized under controlled conditions to ensure purity and consistency, meeting stringent requirements for advanced research and industrial applications.
[1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester structure
36978-36-6 structure
Product Name:[1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester
CAS No:36978-36-6
MF:C20H18O8
MW:386.352126598358
MDL:MFCD09033256
CID:296543
PubChem ID:11025476
Update Time:2025-06-25

[1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester
    • dimethyl 3-[3,4-bis(methoxycarbonyl)phenyl]benzene-1,2-dicarboxylate
    • [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid,2,3,3',4'-tetramethyl est
    • [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid,tetramethyl ester (9CI)
    • 2,3,3',4'-biphenyl-tetracarboxylic acid tetraester
    • 2,3,3',4'-Biphenyltetracarboxylic acidtetramethyl ester
    • 2,3,3',4'-Tetramethylbiphenyl-tetracarboxylat
    • Tetramethyl 1,1'-biphenyl-2,3,3',4'-tetracarboxylate
    • Tetramethyl 2,3,3',4'-biphenyltetracarboxylate
    • Tetramethylbiphenyl-2,3,3',4'-tetracarboxylat
    • D93423
    • DTXSID70452370
    • Tetramethyl [1,1'-biphenyl]-2,3,3',4'-tetracarboxylate
    • 36978-36-6
    • [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylic acid, tetramethyl ester
    • AKOS015967007
    • AS-77658
    • BIPHENYL-2,3,3',4'-TETRACARBOXYLIC ACID TETRAMETHYL ESTER
    • SCHEMBL4856223
    • Tetramethyl[1,1'-biphenyl]-2,3,3',4'-tetracarboxylate
    • DB-264527
    • KMUZCUGHNARCSD-UHFFFAOYSA-N
    • MDL: MFCD09033256
    • Inchi: 1S/C20H18O8/c1-25-17(21)13-9-8-11(10-15(13)19(23)27-3)12-6-5-7-14(18(22)26-2)16(12)20(24)28-4/h5-10H,1-4H3
    • InChI Key: KMUZCUGHNARCSD-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C(C(=O)OC)=CC=CC=1C1C=CC(C(=O)OC)=C(C(=O)OC)C=1)=O

Computed Properties

  • Exact Mass: 386.10000
  • Monoisotopic Mass: 386.10016753g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 9
  • Complexity: 601
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • PSA: 105.20000
  • LogP: 2.50000

[1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester Customs Data

  • HS CODE:2917399090
  • Customs Data:

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

[1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester Pricemore >>

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Additional information on [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester

Introduction to [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester (CAS No. 36978-36-6)

[1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester] is a sophisticated organic compound that has garnered significant attention in the field of chemical and pharmaceutical research due to its unique structural and functional properties. This compound, identified by its CAS number 36978-36-6, belongs to a class of molecules known for their potential applications in material science and drug development. The presence of multiple carboxylic acid esters and methyl groups in its structure contributes to its versatility and reactivity, making it a valuable intermediate in synthetic chemistry.

The molecular structure of [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester] consists of two biphenyl units connected by a tetracarboxylic acid bridge. This unique arrangement imparts distinct electronic and steric properties to the molecule, which are exploited in various chemical reactions and applications. The compound's ability to undergo selective functionalization at multiple sites makes it an attractive candidate for the synthesis of complex organic molecules.

In recent years, [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid, 2,3,3',4'-tetramethyl ester] has been studied for its potential role in the development of advanced materials. Its rigid biphenyl framework and multiple reactive sites make it a suitable precursor for polymers and coatings that exhibit enhanced mechanical strength and thermal stability. Researchers have explored its incorporation into conductive polymers and organic semiconductors, where its electron-deficient nature contributes to improved charge transport properties.

Moreover, the pharmaceutical industry has shown interest in this compound due to its structural similarity to certain bioactive molecules. The carboxylic acid esters in [1,1'-Biphenyl]-2,3,3',4'-tetracarboxylicacid] can be hydrolyzed or transesterified to introduce different functional groups, allowing for the synthesis of novel drug candidates. Preliminary studies have suggested that derivatives of this compound may exhibit promising biological activities, particularly in the areas of anti-inflammatory and anti-cancer therapies.

The synthesis of [1] involves multi-step organic reactions that highlight the compound's synthetic utility. The process typically begins with the formation of a biphenyl core followed by the introduction of carboxylic acid esters at specific positions. The use of palladium-catalyzed cross-coupling reactions has been particularly effective in constructing the tetracarboxylic acid bridge between the two biphenyl units. These synthetic strategies not only showcase the versatility of [1] but also demonstrate the importance of transition metal catalysis in modern organic synthesis.

Recent advancements in computational chemistry have further enhanced our understanding of [1]. Molecular modeling studies have revealed insights into its electronic structure and reactivity patterns. These findings have guided researchers in designing more efficient synthetic routes and predicting the behavior of its derivatives under various conditions. The integration of experimental data with computational methods has been crucial in unraveling the complex chemistry surrounding this compound.

In conclusion,[1] represents a fascinating molecule with broad applications across multiple scientific disciplines. Its unique structural features and reactivity make it a valuable tool for researchers working on advanced materials and pharmaceuticals. As our understanding of its properties continues to grow,we can expect to see even more innovative uses emerge from this versatile compound.

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