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CS-W001157 4
Total: USD 88.00

Tetraethyl ranelate

  • CAS No. 58194-26-6

  • Cat. No. CS-0139557
  • Molecule weight454.49
  • Purity≥97%
  • MDL No.MFCD09839706

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

Tetraethyl ranelate|CS-0139557

Structure of 58194-26-6

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General Information

  • CAS No. 58194-26-6
  • Cat. No. CS-0139557
  • Purity ≥97%
  • MDL No. MFCD09839706
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₆N₂O₈S
  • Molecular Weight 454.49
  • Synonym(s) ethyl 5-[bis(2-ethoxy-2-oxo-ethyl)amino]-4-cyano-3-(2-ethoxy-2-oxo-ethyl)thiophene-2-carboxylate
  • SMILES O=C(OCC)CN(C(SC(C(OCC)=O)=C1CC(OCC)=O)=C1C#N)CC(OCC)=O

Synthesis

  • Route1
    • Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate|CS-0151610
      58168-20-0
    • null|null
      105-39-5
    • ~88%
    • Tetraethyl ranelate|CS-0139557
      58194-26-6

    References

    • PHARMATHEN S.A.; KOFTIS, Theocharis, V.; ROHIT, Ravikant, Soni; BHARAT, Becharbhai, Boda; DIPAKKUMAR, Narsibhai, Bhut; VIMALKUMAR, Subhirbhai, Patel Patent: WO2013/113319 A1, 2013 ; Location in patent: Page/Page column 7 ;
  • Route2
    • Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate|CS-0151610
      58168-20-0
    • null|null
      105-36-2
    • ~91%
    • Tetraethyl ranelate|CS-0139557
      58194-26-6

    References

    • Hongtao, Wei; Jin, Cai; Min, Sun; Min, Ji Heteroatom Chemistry, 2007 , vol. 18, # 3 p. 236 - 238
  • Route3

    References

    • Heteroatom Chemistry, , vol. 18, # 3 p. 236 - 238

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS08
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H226-H314-H341
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   132.23
  • LogP   1.83468
  • H_Acceptors   11
  • H_Donors   0
  • Rotatable_Bonds   12

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