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CS-W001157 4
Total: USD 88.00

2,2-Dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione

  • CAS No. 2231-66-5

  • Cat. No. CS-0037634
  • Molecule weight184.19
  • Purity≥97%
  • MDL No.None

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

2,2-Dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione|CS-0037634

Structure of 2231-66-5

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General Information

  • CAS No. 2231-66-5
  • Cat. No. CS-0037634
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₄
  • Molecular Weight 184.19
  • Synonym(s) 2,2-Dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dione
  • SMILES CC(=C1C(=O)OC(C)(C)OC1=O)C

Synthesis

  • Route1
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      67-64-1
    • ~83%
    • In-stock
      2,2-Dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione|CS-0037634
      2231-66-5

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; FANDRICK, Daniel Robert; YEE, Nathan; SONG, Jinhua J.; REEVES, Jonathan Timothy Patent: WO2010/141334 A1, 2010 ; Location in patent: Page/Page column 13-14 ;
  • Route2

    References

    • Ratiopharm GmbH Patent: EP1834944 A1, 2007 ; Location in patent: Page/Page column 5 ;
  • Route3

    References

    • Tararov, Vitali I.; Korostylev, Andrei; Koenig, Gerd; Boerner, Armin Synthetic Communications, 2006 , vol. 36, # 2 p. 187 - 191

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   1.1589
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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