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Ethyl 2-(5,6-dimethyl-1h-1,3-benzodiazol-2-yl)acetate

  • CAS No. 2148-86-9

  • Cat. No. CS-0230951
  • Molecule weight232.28
  • Purity≥95%
  • MDL No.None

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

Ethyl 2-(5,6-dimethyl-1h-1,3-benzodiazol-2-yl)acetate|CS-0230951

Structure of 2148-86-9

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General Information

  • CAS No. 2148-86-9
  • Cat. No. CS-0230951
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O₂
  • Molecular Weight 232.28
  • Synonym(s) Ethyl (5,6-dimethyl-1H-benzimidazol-2-yl)acetate
  • SMILES O=C(OCC)CC1=NC2=CC(C)=C(C)C=C2N1

Synthesis

  • Route1

    References

    • Rida, Samia M.; Soliman, Farid S. G.; Badawey, El-Sayed A. M.; El-Ghazzawi, E.; Kader, O.; Kappe, Thomas Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1087 - 1093
  • Route2

    References

    • Renhowe, Paul A.; Pecchi, Sabina; Shafer, Cynthia M.; Machajewski, Timothy D.; Jazan, Elisa M.; Taylor, Clarke; Antonios-McCrea, William; McBride, Christopher M.; Frazier, Kelly; Wiesmann, Marion; Lapointe, Gena R.; Feucht, Paul H.; Warne, Robert L.; Heise, Carla C.; Menezes, Daniel; Aardalen, Kimberly; Ye, Helen; He, Molly; Le, Vincent; Vora, Jayesh; Jansen, Johanna M.; Wernette-Hammond, Mary Ellen; Harris, Alex L. Journal of Medicinal Chemistry, 2009 , vol. 52, # 2 p. 278 - 292
  • Route3
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    • Ethyl 2-(5,6-dimethyl-1h-1,3-benzodiazol-2-yl)acetate|CS-0230951
      2148-86-9

    References

    • Ginzinger, Werner; Muehlgassner, Gerhard; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Reithofer, Michael; Berger, Walter; Keppler, Bernhard K. Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3398 - 3413

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   2.28534
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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