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CS-W001157 4
Total: USD 88.00

3-(2-Propyn-1-yloxy)benzoic acid

  • CAS No. 85607-73-4

  • Cat. No. CS-0365546
  • Molecule weight176.17
  • Purity≥98%
  • MDL No.None

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

3-(2-Propyn-1-yloxy)benzoic acid|CS-0365546

Structure of 85607-73-4

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General Information

  • CAS No. 85607-73-4
  • Cat. No. CS-0365546
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) Benzoic acid, 3-(2-propynyloxy)-
  • SMILES C#CCOC1=CC=CC(=C1)C(=O)O

Synthesis

  • Route1
    • Methyl 3-(prop-2-yn-1-yloxy)benzoate|CS-0563975
      160893-68-5
    • ~98%
    • 3-(2-Propyn-1-yloxy)benzoic acid|CS-0365546
      85607-73-4

    References

    • Eppel, Sagi; Portnoy, Moshe Tetrahedron Letters, 2013 , vol. 54, # 37 p. 5056 - 5060
  • Route2
    • Ethyl 3-(prop-2-yn-1-yloxy)benzoate|CS-0678400
      91920-00-2
    • ~%
    • 3-(2-Propyn-1-yloxy)benzoic acid|CS-0365546
      85607-73-4

    References

    • NOVO NORDISK A/S Patent: WO2007/93594 A1, 2007 ; Location in patent: Page/Page column 50 ;
  • Route3

    References

    • Dijkgraaf, Ingrid; Rijnders, Anneloes Y.; Soede, Annemieke; Dechesne, Annemarie C.; Van Esse, G. Wilma; Brouwer, Arwin J.; Corstens, Frans H. M.; Boerman, Otto C.; Rijkers, Dirk T. S.; Liskamp, Rob M. J. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 6 p. 935 - 944

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   46.53
  • LogP   1.3968
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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