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CS-W001157 4
Total: USD 88.00

Ethyl 3-methylisothiazole-4-carboxylate

  • CAS No. 15901-51-6

  • Cat. No. CS-0313065
  • Purity≥95%
  • MDL No.None

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

Ethyl 3-methylisothiazole-4-carboxylate|CS-0313065

Structure of 15901-51-6

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General Information

  • CAS No. 15901-51-6
  • Cat. No. CS-0313065
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂S
  • Molecular Weight 171.22
  • Synonym(s) Ethyl 3-methyl-1,2-thiazole-4-carboxylate, 4-(Ethoxycarbonyl)-3-methyl-1,2-thiazole
  • SMILES CCOC(=O)C1=CSN=C1C

Synthesis

  • Route1
    • null|null
      876191-55-8
    • ~92%
    • Ethyl 3-methylisothiazole-4-carboxylate|CS-0313065
      15901-51-6

    References

    • Theoclitou, Maria-Elena; Aquila, Brian; Block, Michael H.; Brassil, Patrick J.; Castriotta, Lillian; Code, Erin; Collins, Michael P.; Davies, Audrey M.; Deegan, Tracy; Ezhuthachan, Jayachandran; Filla, Sandra; Freed, Ellen; Hu, Haiqing; Huszar, Dennis; Jayaraman, Muthusamy; Lawson, Deborah; Lewis, Paula M; Nadella, Murali V. P.; Oza, Vibha; Padmanilayam, Maniyan; Pontz, Timothy; Ronco, Lucienne; Russell, Daniel; Whitston, David; Zheng, Xiaolan Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6734 - 6750
  • Route2
    • Ethyl(E)-3-aminocrotonate|CS-0072307
      41867-20-3
    • ~%
    • Ethyl 3-methylisothiazole-4-carboxylate|CS-0313065
      15901-51-6

    References

    • Theoclitou, Maria-Elena; Aquila, Brian; Block, Michael H.; Brassil, Patrick J.; Castriotta, Lillian; Code, Erin; Collins, Michael P.; Davies, Audrey M.; Deegan, Tracy; Ezhuthachan, Jayachandran; Filla, Sandra; Freed, Ellen; Hu, Haiqing; Huszar, Dennis; Jayaraman, Muthusamy; Lawson, Deborah; Lewis, Paula M; Nadella, Murali V. P.; Oza, Vibha; Padmanilayam, Maniyan; Pontz, Timothy; Ronco, Lucienne; Russell, Daniel; Whitston, David; Zheng, Xiaolan Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6734 - 6750
  • Route3

    References

    • Hatanaka,M.; Ishimaru,T. Journal of Medicinal Chemistry, 1973 , vol. 16, p. 978 - 984

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.62822
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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