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CS-W001157 4
Total: USD 88.00

5-Ethynyl-1,2,3-trimethoxybenzene

  • CAS No. 53560-33-1

  • Cat. No. CS-0534003
  • Purity≥98%
  • MDL No.MFCD13191951

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

5-Ethynyl-1,2,3-trimethoxybenzene|CS-0534003

Structure of 53560-33-1

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General Information

  • CAS No. 53560-33-1
  • Cat. No. CS-0534003
  • Purity ≥98%
  • MDL No. MFCD13191951
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) 3,4,5-trimethoxyphenylacetylene
  • SMILES C#CC1=CC(OC)=C(OC)C(OC)=C1

Synthesis

  • Route1
    • 5-(2,2-Dibromovinyl)-1,2,3-trimethoxybenzene|CS-0360538
      77295-62-6
    • ~99%
    • In-stock
      5-Ethynyl-1,2,3-trimethoxybenzene|CS-0534003
      53560-33-1

    References

    • Malysheva, Yulia B.; Buchvalova, Svetlana Y.; Svirshchevskaya, Elena V.; Fokin, Valery V.; Fedorov, Alexey Y. Synlett, 2013 , vol. 24, # 14 art. no. ST-2013-B0387-L, p. 1772 - 1776
  • Route2
    • In-stock
      3,4,5-Trimethoxybenzaldehyde|CS-W010602
      86-81-7
    • null|null
      90965-06-3
    • ~99%
    • In-stock
      5-Ethynyl-1,2,3-trimethoxybenzene|CS-0534003
      53560-33-1

    References

    • Demchuk, Dmitry V.; Samet, Alexander V.; Chernysheva, Natalia B.; Ushkarov, Vladimir I.; Stashina, Galina A.; Konyushkin, Leonid D.; Raihstat, Mikhail M.; Firgang, Sergei I.; Philchenkov, Alex A.; Zavelevich, Michael P.; Kuiava, Ludmila M.; Chekhun, Vasyl F.; Blokhin, Dmitry Yu.; Kiselyov, Alex S.; Semenova, Marina N.; Semenov, Victor V. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 2 p. 738 - 755
  • Route3
    • In-stock
      3,4,5-Trimethoxybenzaldehyde|CS-W010602
      86-81-7
    • null|null
      18107-18-1
    • ~91%
    • In-stock
      5-Ethynyl-1,2,3-trimethoxybenzene|CS-0534003
      53560-33-1

    References

    • Odlo, Kristin; Fournier-Dit-Chabert, Jeremie; Ducki, Sylvie; Gani, Osman A.B.S.M.; Sylte, Ingebrigt; Hansen, Trond Vidar Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 18 p. 6874 - 6885

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   27.69
  • LogP   1.6937
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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