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CS-W001157 4
Total: USD 88.00

1-Methyl-β-oxocyclopropanepropanenitrile

  • CAS No. 88485-78-3

  • Cat. No. CS-0235790
  • Purity≥95%
  • MDL No.MFCD04114335

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

1-Methyl-β-oxocyclopropanepropanenitrile|CS-0235790

Structure of 88485-78-3

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General Information

  • CAS No. 88485-78-3
  • Cat. No. CS-0235790
  • Purity ≥95%
  • MDL No. MFCD04114335
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO
  • Molecular Weight 123.15
  • Synonym(s) 3-(1-Methylcyclopropyl)-3-oxopropanenitrile
  • SMILES CC1(CC1)C(=O)CC#N

Synthesis

  • Route1
    • null|null
      631-57-2
    • 1-Methylcyclopropane-1-carboxylic acid methyl ester|CS-0205295
      6206-25-3
    • ~90%
    • In-stock
      1-Methyl-β-oxocyclopropanepropanenitrile|CS-0235790
      88485-78-3

    References

    • ABBOTT LABORATORIES Patent: US2010/249129 A1, 2010 ; Location in patent: Page/Page column 38 ; US 20100249129 A1
  • Route2
    • 1-Methylcyclopropane-1-carboxylic acid methyl ester|CS-0205295
      6206-25-3
    • null|null
      75-05-8
    • ~91%
    • In-stock
      1-Methyl-β-oxocyclopropanepropanenitrile|CS-0235790
      88485-78-3

    References

    • ABBOTT LABORATORIES Patent: US2010/69348 A1, 2010 ; Location in patent: Page/Page column 46; 47 ;
  • Route3
    • 1-Methylcyclopropane-1-carboxylic acid methyl ester|CS-0205295
      6206-25-3
    • ~%
    • In-stock
      1-Methyl-β-oxocyclopropanepropanenitrile|CS-0235790
      88485-78-3

    References

    • ELI LILLY AND COMPANY Patent: WO2007/53346 A1, 2007 ; Location in patent: Page/Page column 16 ; WO 2007/053346 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.26928
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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