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CS-W001157 4
Total: USD 88.00

2-(Ethoxycarbonyl)-3-methylbutanoic acid

  • CAS No. 15112-52-4

  • Cat. No. CS-0459808
  • Purity≥96%
  • MDL No.None

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

2-(Ethoxycarbonyl)-3-methylbutanoic acid|CS-0459808

Structure of 15112-52-4

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General Information

  • CAS No. 15112-52-4
  • Cat. No. CS-0459808
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₄
  • Molecular Weight 174.19
  • Synonym(s) 2-Isopropyl-malonic acid monoethyl ester
  • SMILES O=C(OCC)C(C(C)C)C(O)=O

Synthesis

  • Route1

    References

    • Hewlins, Stuart A.; Murphy, John A.; Lin, Jian; Hibbs, David E.; Hursthouse, Michael B. Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 10 p. 1559 - 1570
  • Route2
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      108-64-5
    • ~%
    • In-stock
      Isovaleramide|CS-4876
      541-46-8
    • In-stock
      2-(Ethoxycarbonyl)-3-methylbutanoic acid|CS-0459808
      15112-52-4

    References

    • Hauser; Levine; Kibler Journal of the American Chemical Society, 1946 , vol. 68, p. 27
  • Route3
    • null|null
      105-53-3
    • ~%
    • In-stock
      2-(Ethoxycarbonyl)-3-methylbutanoic acid|CS-0459808
      15112-52-4

    References

    • Hewlins, Stuart A.; Murphy, John A.; Lin, Jian; Hibbs, David E.; Hursthouse, Michael B. Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 10 p. 1559 - 1570

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

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.9063
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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