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CS-W001157 4
Total: USD 88.00

1,4-Bis(methoxycarbonyl)cubane

  • CAS No. 29412-62-2

  • Cat. No. CS-W001051
  • Purity≥95%
  • MDL No.MFCD00192075

*For research and further manufacturing use only, not for direct human use.

1,4-Bis(methoxycarbonyl)cubane|CS-W001051

Structure of 29412-62-2

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General Information

  • CAS No. 29412-62-2
  • Cat. No. CS-W001051
  • Purity ≥95%
  • MDL No. MFCD00192075
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₄
  • Molecular Weight None
  • Synonym(s) Dimethyl 1,4-cubanedicarboxylate
  • SMILES COC(=O)C12C3C4C2C2C1C3C42C(=O)OC

Description

1,4-Bis(methoxycarbonyl)cubane features a rigid cubane core functionalized with two methoxycarbonyl groups at opposite vertices. This structural arrangement imparts high steric congestion and electronic polarization, enabling use in strained molecular architectures. The compound exhibits bench-stable handling and compatibility with standard coupling protocols, making it valuable for constructing complex polycyclic frameworks in synthetic organic chemistry.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      1,4-Dicarboxycubane|CS-0052729
      32846-66-5
    • ~29%
    • In-stock
      1,4-Bis(methoxycarbonyl)cubane|CS-W001051
      29412-62-2

    References

    • Falkiner, Michael J.; Littler, Stuart W.; McRae, Kenneth J.; Savage, G. Paul; Tsanaktsidis, John Organic Process Research and Development, 2013 , vol. 17, # 12 p. 1503 - 1509
  • Route2
    • 1,4-Dioxaspiro[4.4]nonane|CS-0246059
      176-32-9
    • ~%
    • In-stock
      1,4-Bis(methoxycarbonyl)cubane|CS-W001051
      29412-62-2

    References

    • Beinat, Corinne; Banister, Samuel D.; Hoban, Jane; Tsanaktsidis, John; Metaxas, Athanasios; Windhorst, Albert D.; Kassiou, Michael Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 3 p. 828 - 830
  • Route3
    • null|null
      25834-49-5
    • ~%
    • In-stock
      1,4-Bis(methoxycarbonyl)cubane|CS-W001051
      29412-62-2

    References

    • Beinat, Corinne; Banister, Samuel D.; Hoban, Jane; Tsanaktsidis, John; Metaxas, Athanasios; Windhorst, Albert D.; Kassiou, Michael Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 3 p. 828 - 830

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.0704
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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