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CS-W001157 4
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3,3-Dimethyl-pentanedioic acid dimethyl ester

  • CAS No. 19184-67-9

  • Cat. No. CS-0205140
  • Purity≥98%
  • MDL No.MFCD00182435

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

3,3-Dimethyl-pentanedioic acid dimethyl ester|CS-0205140

Structure of 19184-67-9

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General Information

  • CAS No. 19184-67-9
  • Cat. No. CS-0205140
  • Purity ≥98%
  • MDL No. MFCD00182435
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₄
  • Molecular Weight 188.22
  • Synonym(s) Dimethyl 3,3-dimethylpentanedioate
  • SMILES O=C(OC)CC(C)(C)CC(=O)OC

Synthesis

  • Route1

    References

    • Heard, Kathryn R.; Wu, Wengen; Li, Youhua; Zhao, Peng; Woznica, Iwona; Lai, Jack H.; Beinborn, Martin; Sanford, David G.; Dimare, Matthew T.; Chiluwal, Amrita K.; Peters, Diane E.; Whicher, Danielle; Sudmeier, James L.; Bachovchin, William W. Journal of Medicinal Chemistry, 2013 , vol. 56, # 21 p. 8339 - 8351
  • Route2
    • 2,5,5-Trimethylcyclohexane-1,3-dione|CS-0878165
      1125-11-7
    • ~%
    • 3,3-Dimethyl-pentanedioic acid dimethyl ester|CS-0205140
      19184-67-9

    References

    • Cocker,W.; Grayson,D.H. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1975 , p. 1347 - 1352
  • Route3

    References

    • Welzel; Witteler; Hermsdorf; et al. Tetrahedron, 1981 , vol. 37, # 1 p. 105 - 112

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.1388
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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