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CS-W001157 4
Total: USD 88.00

Ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate

  • CAS No. 500890-03-9

  • Cat. No. CS-0468654
  • Purity≥98%
  • MDL No.None

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

Ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate|CS-0468654

Structure of 500890-03-9

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General Information

  • CAS No. 500890-03-9
  • Cat. No. CS-0468654
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O₂
  • Molecular Weight 168.19
  • Synonym(s) Ethyl 2,4-dimethyl-1H-imidazole-5-carboxylate
  • SMILES O=C(C1=C(C)NC(C)=N1)OCC

Synthesis

  • Route1
    • Ethyl 2-amino-3-oxobutanoate hydrochloride|CS-W022650
      20207-16-3
    • null|null
      1000-84-6
    • ~%
    • Ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate|CS-0468654
      500890-03-9

    References

    • Glaxo Group Limited Patent: US5374646 A1, 1994 ; US 5374646 A
  • Route2

    References

    • Judd; Dowle; Middlemiss; Scopes; Ross; Jack; Pass; Tranquillini; Hobson; Panchal; Stuart; Paton; Hubbard; Hilditch; Drew; Robertson; Clark; Travers; Hunt; et al. Journal of Medicinal Chemistry, 1994 , vol. 37, # 19 p. 3108 - 3120

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   1.20324
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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