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CS-W001157 4
Total: USD 88.00

4-Methoxy-2,2-dimethyl-4-oxobutanoic acid

  • CAS No. 54043-71-9

  • Cat. No. CS-W022201
  • Purity≥95%
  • MDL No.MFCD16619681

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

4-Methoxy-2,2-dimethyl-4-oxobutanoic acid|CS-W022201

Structure of 54043-71-9

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General Information

  • CAS No. 54043-71-9
  • Cat. No. CS-W022201
  • Purity ≥95%
  • MDL No. MFCD16619681
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₄
  • Molecular Weight 160.17
  • Synonym(s) Butanedioic acid, 2,2-dimethyl-, 4-methyl ester
  • SMILES O=C(O)C(C)(C)CC(OC)=O

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2,2-Dimethylsuccinic acid|CS-W016357
      597-43-3
    • ~49%
    • In-stock
      4-Methoxy-2,2-dimethyl-4-oxobutanoic acid|CS-W022201
      54043-71-9

    References

    • EPIZYME, INC.; CHESWORTH, Richard; KUNTZ, Kevin, Wayne; OLHAVA, Edward, James; PATANE, Michael, A. Patent: WO2012/82436 A2, 2012 ; Location in patent: Page/Page column 275 ; WO 2012/082436 A2
  • Route2

    References

    • Merck and Co., Inc. Patent: US5726319 A1, 1998 ;
  • Route3

    References

    • DeVita, Robert J.; Bochis, Richard; Frontier, Alison J.; Kotliar, Andrew; Fisher, Michael H.; Schoen, William R.; Wyvratt, Matthew J.; Cheng, Kang; Chan, Wanda W.-S.; Butler, Bridget; Jacks, Thomas M.; Hickey, Gerard J.; Schleim, Klaus D.; Leung, Kwan; Chen, Zhesheng; Lee Chiu; Feeney, William P.; Cunningham, Paul K.; Smith, Roy G. Journal of Medicinal Chemistry, 1998 , vol. 41, # 10 p. 1716 - 1728

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   63.6
  • LogP   0.6603
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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