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CS-W001157 4
Total: USD 88.00

Ethyl 2-(3-cyanooxetan-3-yl)acetate

  • CAS No. 1050611-00-1

  • Cat. No. CS-0049538
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-(3-cyanooxetan-3-yl)acetate|CS-0049538

Structure of 1050611-00-1

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General Information

  • CAS No. 1050611-00-1
  • Cat. No. CS-0049538
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₃
  • Molecular Weight 169.18
  • Synonym(s) (3-cyanooxetan-3-yl)acetic acid ethyl ester
  • SMILES CCOC(=O)CC1(COC1)C#N

Synthesis

  • Route1
    • In-stock
      Ethyl 2-(oxetan-3-ylidene)acetate|CS-0006466
      922500-91-2
    • null|null
      143-33-9
    • ~%
    • In-stock
      Ethyl 2-(3-cyanooxetan-3-yl)acetate|CS-0049538
      1050611-00-1

    References

    • Myriad Genetics, Incorporated Patent: US2008/207573 A1, 2008 ; Location in patent: Page/Page column 87-88 ;
  • Route2
    • In-stock
      Ethyl 2-(oxetan-3-ylidene)acetate|CS-0006466
      922500-91-2
    • null|null
      75-86-5
    • ~%
    • In-stock
      Ethyl 2-(3-cyanooxetan-3-yl)acetate|CS-0049538
      1050611-00-1

    References

    • Wuitschik, Georg; Carreira, Erick M.; Wagner, Bjoern; Fischer, Holger; Parrilla, Isabelle; Schuler, Franz; Rogers-Evans, Mark; Mueller, Klaus Journal of Medicinal Chemistry, 2010 , vol. 53, # 8 p. 3227 - 3246

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   59.32
  • LogP   0.47978
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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