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CS-W001157 4
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Methyl 3-cyano-2-methoxybenzoate

  • CAS No. 406938-72-5

  • Cat. No. CS-0452205
  • Purity≥98%
  • MDL No.None

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

Methyl 3-cyano-2-methoxybenzoate|CS-0452205

Structure of 406938-72-5

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General Information

  • CAS No. 406938-72-5
  • Cat. No. CS-0452205
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) methyl 3-cyano-2-methoxybnezoate
  • SMILES COC1=C(C=CC=C1C(=O)OC)C#N

Synthesis

  • Route1

    References

    • Bernstein, Peter Patent: US2004/29850 A1, 2004 ; US 20040029850 A1
  • Route2
    • Methyl 3-cyano-2-hydroxybenzoate|CS-0532476
      1032614-92-8
    • null|null
      74-88-4
    • ~%
    • Methyl 3-cyano-2-methoxybenzoate|CS-0452205
      406938-72-5

    References

    • Almstead, Neil G.; Hwang, Peter Seongwoo; Moon, Young-Choon; Welch, Ellen M. Patent: US2008/139632 A1, 2008 ; Location in patent: Page/Page column 20 ;
  • Route3
    • Methyl 3-iodo-2-methoxybenzoate|CS-0877265
      620621-40-1
    • null|null
      544-92-3
    • ~%
    • Methyl 3-cyano-2-methoxybenzoate|CS-0452205
      406938-72-5
    • Methyl 3-cyano-2-hydroxybenzoate|CS-0532476
      1032614-92-8

    References

    • Almstead, Neil G.; Hwang, Peter Seongwoo; Moon, Young-Choon; Welch, Ellen M. Patent: US2008/139632 A1, 2008 ; Location in patent: Page/Page column 19-20 ;

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   1.35348
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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