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CS-W001157 4
Total: USD 88.00

2-(1-Methoxy-2-methylpropylidene)propanedinitrile

  • CAS No. 54122-57-5

  • Cat. No. CS-0225262
  • Purity≥95%
  • MDL No.None

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

2-(1-Methoxy-2-methylpropylidene)propanedinitrile|CS-0225262

Structure of 54122-57-5

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General Information

  • CAS No. 54122-57-5
  • Cat. No. CS-0225262
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O
  • Molecular Weight 150.18
  • Synonym(s) Propanedinitrile,(1-methoxy-2-methylpropylidene)
  • SMILES N#CC(C#N)=C(OC)C(C)C

Synthesis

  • Route1
    • null|null
      40798-08-1
    • null|null
      77-78-1
    • ~63%
    • 2-(1-Methoxy-2-methylpropylidene)propanedinitrile|CS-0225262
      54122-57-5

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2004/9602 A1, 2004 ; Location in patent: Page 83-84 ; WO 2004/009602 A1
  • Route2
    • null|null
      40798-08-1
    • ~32%
    • 2-(1-Methoxy-2-methylpropylidene)propanedinitrile|CS-0225262
      54122-57-5

    References

    • SUMITOMO PHARMACEUTICALS COMPANY, LIMITED Patent: EP885890 A1, 1998 ; EP 0885890 A1
  • Route3
    • null|null
      77-78-1
    • 2-Isobutyrylmalononitrile|CS-1662306
      476371-59-2
    • ~30%
    • 2-(1-Methoxy-2-methylpropylidene)propanedinitrile|CS-0225262
      54122-57-5

    References

    • Kraybill, Brian C.; Elkin, Lisa L.; Blethrow, Justin D.; Morgan, David O.; Shokat, Kevan M. Journal of the American Chemical Society, 2002 , vol. 124, # 41 p. 12118 - 12128

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   56.81
  • LogP   1.59006
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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