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CS-W001157 4
Total: USD 88.00

(S)-4-Methoxy-3-methyl-4-oxobutanoic acid

  • CAS No. 111266-16-1

  • Cat. No. CS-0376341
  • Molecule weight146.14
  • Purity≥97%
  • MDL No.MFCD00134574

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

(S)-4-Methoxy-3-methyl-4-oxobutanoic acid|CS-0376341

Structure of 111266-16-1

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General Information

  • CAS No. 111266-16-1
  • Cat. No. CS-0376341
  • Purity ≥97%
  • MDL No. MFCD00134574
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₄
  • Molecular Weight 146.14
  • Synonym(s) (S)-2-METHYLSUCCINIC ACID 1-METHYL ESTER
  • SMILES O=C(OC)[C@@H](C)CC(O)=O

Synthesis

  • Route1
    • 3-(Methoxycarbonyl)but-3-enoic acid|CS-0217993
      3377-31-9
    • ~99%
    • (R)-4-methoxy-3-methyl-4-oxobutanoate|CS-0468409
      83509-04-0
    • In-stock
      (S)-4-Methoxy-3-methyl-4-oxobutanoic acid|CS-0376341
      111266-16-1

    References

    • Kawano, Hiroyuki; Ishii, Youichi; Ikariya, Takao; Saburi, Masahiko; Yoshikawa, Sadao; et. al Tetrahedron Letters, 1987 , vol. 28, # 17 p. 1905 - 1908
  • Route2
    • 3-(Methoxycarbonyl)but-3-enoic acid|CS-0217993
      3377-31-9
    • ~%
    • In-stock
      (S)-4-Methoxy-3-methyl-4-oxobutanoic acid|CS-0376341
      111266-16-1

    References

    • DEGUSSA AG Patent: WO2006/45388 A1, 2006 ; Location in patent: Page/Page column 21-22 ;
  • Route3
    • null|null
      67-56-1
    • In-stock
      Sacubitrilat impurity 32|CS-Z0015
      4100-80-5
    • ~%
    • (R)-4-methoxy-3-methyl-4-oxobutanoate|CS-0468409
      83509-04-0
    • In-stock
      (S)-4-Methoxy-3-methyl-4-oxobutanoic acid|CS-0376341
      111266-16-1

    References

    • Chen; Deng Journal of the American Chemical Society, 2001 , vol. 123, # 45 p. 11302 - 11303

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.2702
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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