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CS-W001157 4
Total: USD 88.00

1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate

  • CAS No. 22539-80-6

  • Cat. No. CS-0210454
  • Purity≥98%
  • MDL No.MFCD00666173

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

1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate|CS-0210454

Structure of 22539-80-6

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General Information

  • CAS No. 22539-80-6
  • Cat. No. CS-0210454
  • Purity ≥98%
  • MDL No. MFCD00666173
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₀O₄
  • Molecular Weight 228.28
  • Synonym(s) Diethyl (3-methylbut-2-enyl)malonate
  • SMILES O=C(OCC)C(CC=C(C)C)C(OCC)=O

Synthesis

  • Route1
    • null|null
      870-63-3
    • null|null
      105-53-3
    • ~98%
    • 1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate|CS-0210454
      22539-80-6

    References

    • Becker; Haddad Tetrahedron, 1993 , vol. 49, # 4 p. 947 - 964
  • Route2
    • null|null
      408333-38-0
    • ~96%
    • 1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate|CS-0210454
      22539-80-6

    References

    • Necas, David; Tursky, Matyas; Kotora, Martin Journal of the American Chemical Society, 2004 , vol. 126, # 33 p. 10222 - 10223
  • Route3
    • null|null
      105-53-3
    • null|null
      503-60-6
    • ~80%
    • 1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate|CS-0210454
      22539-80-6

    References

    • Cane, David E.; Tandon, Manish Tetrahedron Letters, 1994 , vol. 35, # 30 p. 5355 - 5358

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   2.0851
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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