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CS-W001157 4
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Methyl4-acetamido-3-iodobenzoate

  • CAS No. 190071-23-9

  • Cat. No. CS-0172013
  • Purity≥95%
  • MDL No.None

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

Methyl4-acetamido-3-iodobenzoate|CS-0172013

Structure of 190071-23-9

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General Information

  • CAS No. 190071-23-9
  • Cat. No. CS-0172013
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀INO₃
  • Molecular Weight 319.10
  • Synonym(s) Methyl 4-acetamido-3-iodobenzoate
  • SMILES CC(NC1=C(I)C=C(C(OC)=O)C=C1)=O

Synthesis

  • Route1

    References

    • RVX Therapeutics Inc.; McLure, Kevin G.; Young, Peter R. Patent: US2013/281399 A1, 2013 ; Location in patent: Paragraph 0561; 0580 ;
  • Route2

    References

    • Kotha, Sambasivarao; Shah, Vrajesh R. European Journal of Organic Chemistry, 2008 , # 6 p. 1054 - 1064
  • Route3
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • Methyl4-acetamido-3-iodobenzoate|CS-0172013
      190071-23-9

    References

    • Fagnola, Maria Chiara; Candiani, Ilaria; Visentin, Giuseppina; Cabri, Walter; Zarini, Franco; Mongelli, Nicola; Bedeschi, Angelo Tetrahedron Letters, 1997 , vol. 38, # 13 p. 2307 - 2310

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   55.4
  • LogP   2.0362
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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