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CS-W001157 4
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Methyl 4-(oxiran-2-ylmethoxy)benzoate

  • CAS No. 5535-03-5

  • Cat. No. CS-0237143
  • Molecule weight208.21
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(oxiran-2-ylmethoxy)benzoate|CS-0237143

Structure of 5535-03-5

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General Information

  • CAS No. 5535-03-5
  • Cat. No. CS-0237143
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) Methyl 4-(2,3-Epoxypropoxy)benzoate
  • SMILES COC(=O)C1=CC=C(C=C1)OCC2CO2

Synthesis

  • Route1

    References

    • Schmitt, Martin L.; Hauser, Alexander-Thomas; Carlino, Luca; Pippel, Martin; Schulz-Fincke, Johannes; Metzger, Eric; Willmann, Dominica; Yiu, Teresa; Barton, Michelle; Schuele, Roland; Sippl, Wolfgang; Jung, Manfred Journal of Medicinal Chemistry, 2013 , vol. 56, # 18 p. 7334 - 7342
  • Route2

    References

    • Ohno, Tomoyasu; Ogawa, Kazuo; Yano, Shingo; Fukushima, Masakazu; Suzuki, Norihiko; Asao, Tetsuji Archiv der Pharmazie, 2005 , vol. 338, # 4 p. 147 - 158
  • Route3
    • 4-Hydroxybenzoic acid  Cetirizine Impurity|CS-0167040
      99-96-7
    • ~%
    • Methyl 4-(oxiran-2-ylmethoxy)benzoate|CS-0237143
      5535-03-5

    References

    • Erhardt, Paul W.; Woo, Chi M.; Anderson, William G.; Gorczynski, Richard J. Journal of Medicinal Chemistry, 1982 , vol. 25, # 12 p. 1408 - 1412

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   48.06
  • LogP   1.2508
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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