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Methyl 4-pyridin-4-ylbutanoate

  • CAS No. 85691-54-9

  • Cat. No. CS-0117068
  • Purity≥98%
  • MDL No.None

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

Methyl 4-pyridin-4-ylbutanoate|CS-0117068

Structure of 85691-54-9

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General Information

  • CAS No. 85691-54-9
  • Cat. No. CS-0117068
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) Methyl 4-(4-pyridinyl)butanoate
  • SMILES O=C(OC)CCCC1=CC=NC=C1

Synthesis

  • Route1
    • 4-(Pyridin-4-yl)butanenitrile|CS-0117758
      84200-09-9
    • ~%
    • Methyl 4-pyridin-4-ylbutanoate|CS-0117068
      85691-54-9

    References

    • Ciba-Geigy Corporation Patent: US4444775 A1, 1984 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.5773
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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