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CS-W001157 4
Total: USD 88.00

Methyl 2-(3-chloro-4-cyanophenyl)acetate

  • CAS No. 496856-45-2

  • Cat. No. CS-0580895
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(3-chloro-4-cyanophenyl)acetate|CS-0580895

Structure of 496856-45-2

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General Information

  • CAS No. 496856-45-2
  • Cat. No. CS-0580895
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClNO₂
  • Molecular Weight 209.63
  • Synonym(s) methyl 4-cyano-3-chlorophenylacetate
  • SMILES COC(=O)CC1=CC(=C(C=C1)C#N)Cl

Synthesis

  • Route1
    • null|null
      496856-44-1
    • null|null
      557-21-1
    • ~68%
    • Methyl 2-(3-chloro-4-cyanophenyl)acetate|CS-0580895
      496856-45-2

    References

    • Epple, Robert; Russo, Ross; Azimioara, Mihai; Cow, Christopher; Xie, Yongping; Wang, Xing; Wityak, John; Karanewsky, Don; Gerken, Andrea; Iskandar, Maya; Saez, Enrique; Martin Seidel; Tian, Shin-Shay Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 16 p. 4376 - 4380
  • Route2
    • 3-Chloro-4-hydroxyphenylacetic acid|CS-W001146
      33697-81-3
    • ~%
    • Methyl 2-(3-chloro-4-cyanophenyl)acetate|CS-0580895
      496856-45-2

    References

    • Epple, Robert; Russo, Ross; Azimioara, Mihai; Cow, Christopher; Xie, Yongping; Wang, Xing; Wityak, John; Karanewsky, Don; Gerken, Andrea; Iskandar, Maya; Saez, Enrique; Martin Seidel; Tian, Shin-Shay Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 16 p. 4376 - 4380
  • Route3

    References

    • Epple, Robert; Russo, Ross; Azimioara, Mihai; Cow, Christopher; Xie, Yongping; Wang, Xing; Wityak, John; Karanewsky, Don; Gerken, Andrea; Iskandar, Maya; Saez, Enrique; Martin Seidel; Tian, Shin-Shay Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 16 p. 4376 - 4380

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

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.92718
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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