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CS-W001157 4
Total: USD 88.00

Diethyl butylmalonate

  • CAS No. 133-08-4

  • Cat. No. CS-0104208
  • Purity≥98%
  • MDL No.MFCD00009170

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

Diethyl butylmalonate|CS-0104208

Structure of 133-08-4

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General Information

  • CAS No. 133-08-4
  • Cat. No. CS-0104208
  • Purity ≥98%
  • MDL No. MFCD00009170
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀O₄
  • Molecular Weight 216.27
  • Synonym(s) None
  • SMILES O=C(OCC)C(CCCC)C(OCC)=O

Description

Diethyl butylmalonate serves as a versatile synthon in organic synthesis, featuring a malonate ester core flanked by a butyl group that enhances solubility and stability. This structure enables efficient alkylation and subsequent decarboxylation to access functionalized carboxylic acids under mild conditions.

Synthesis

  • Route1
    • null|null
      109-65-9
    • null|null
      105-53-3
    • ~91%
    • In-stock
      Diethyl butylmalonate|CS-0104208
      133-08-4

    References

    • Szabo, G. T.; Aranyosi, K.; Csiba, M.; Toke, L. Synthesis, 1987 , # 6 p. 565 - 566
  • Route2
    • null|null
      123-66-0
    • null|null
      95-92-1
    • ~%
    • In-stock
      Diethyl butylmalonate|CS-0104208
      133-08-4

    References

    • Journal of the American Chemical Society, , vol. 69, p. 2355 Organic Syntheses, , vol. 34, p. 13
  • Route3
    • null|null
      13937-11-6
    • ~%
    • In-stock
      Diethyl butylmalonate|CS-0104208
      133-08-4

    References

    • Journal of the American Chemical Society, , vol. 56, p. 2425

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.919
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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