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CS-W001157 4
Total: USD 88.00

Methyl 2-cyano-2-methylacetate

  • CAS No. 14618-77-0

  • Cat. No. CS-0232751
  • Molecule weight113.11
  • Purity≥95%
  • MDL No.MFCD00036017

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

Methyl 2-cyano-2-methylacetate|CS-0232751

Structure of 14618-77-0

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General Information

  • CAS No. 14618-77-0
  • Cat. No. CS-0232751
  • Purity ≥95%
  • MDL No. MFCD00036017
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇NO₂
  • Molecular Weight 113.11
  • Synonym(s) Propanoic acid, 2-cyano-, methyl ester
  • SMILES O=C(OC)C(C#N)C

Synthesis

  • Route1

    References

    • Bayer Aktiengesellschaft Patent: US4567004 A1, 1986 ;
  • Route2
    • null|null
      50-00-0
    • In-stock
      Methyl 2-cyanoacetate|CS-W016657
      105-34-0
    • ~45%
    • In-stock
      Methyl 2-cyano-2-methylacetate|CS-0232751
      14618-77-0

    References

    • Stratford, Eugene S.; Curley, Robert W. Journal of Medicinal Chemistry, 1983 , vol. 26, # 10 p. 1463 - 1469
  • Route3
    • null|null
      50-00-0
    • In-stock
      Methyl 2-cyanoacetate|CS-W016657
      105-34-0
    • ~88%
    • In-stock
      Methyl 2-cyano-2-methylacetate|CS-0232751
      14618-77-0
    • null|null
      75-05-8
    • null|null
      107-12-0

    References

    • Abe, Fujio; Hayashi, Teruyuki; Tanaka, Masato Chemistry Letters, 1990 , # 5 p. 765 - 768

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   50.09
  • LogP   0.31908
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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