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CS-W001157 4
Total: USD 88.00

3-(3-Methoxyphenyl)-3-oxopropanenitrile

  • CAS No. 21667-60-7

  • Cat. No. CS-0102803
  • Purity≥98%
  • MDL No.MFCD01566517

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

3-(3-Methoxyphenyl)-3-oxopropanenitrile|CS-0102803

Structure of 21667-60-7

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General Information

  • CAS No. 21667-60-7
  • Cat. No. CS-0102803
  • Purity ≥98%
  • MDL No. MFCD01566517
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 3-(3-Methoxyphenyl)-3-oxopropanenitrile, 3-(3-Methoxyphenyl)-3-oxopropionitrile
  • SMILES N#CCC(C1=CC=CC(OC)=C1)=O

Synthesis

  • Route1
    • In-stock
      Methyl 3-methoxybenzoate|CS-W001586
      5368-81-0
    • null|null
      75-05-8
    • ~81%
    • In-stock
      3-(3-Methoxyphenyl)-3-oxopropanenitrile|CS-0102803
      21667-60-7

    References

    • CHROMA THERAPEUTICS LTD. Patent: WO2008/53136 A1, 2008 ; Location in patent: Page/Page column 27 ; WO 2008/053136 A1
  • Route2
    • In-stock
      Ethyl 3-methoxybenzoate|CS-0151776
      10259-22-0
    • null|null
      75-05-8
    • ~51%
    • In-stock
      3-(3-Methoxyphenyl)-3-oxopropanenitrile|CS-0102803
      21667-60-7

    References

    • SIENA BIOTECH S.P.A.; WYETH PHARMACEUTICALS Patent: WO2007/98826 A2, 2007 ; Location in patent: Page/Page column 70-71 ; WO 2007/098826 A2
  • Route3

    References

    • Park, Ahbyeol; Lee, Sunwoo Organic Letters, 2012 , vol. 14, # 4 p. 1118 - 1121

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   50.09
  • LogP   1.79158
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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