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CS-W001157 4
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Ethyl 4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylate

  • CAS No. 2386-26-7

  • Cat. No. CS-0298816
  • Molecule weight209.24
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylate|CS-0298816

Structure of 2386-26-7

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General Information

  • CAS No. 2386-26-7
  • Cat. No. CS-0298816
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₃
  • Molecular Weight 209.24
  • Synonym(s) 4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl propanoate
  • SMILES CCOC(=O)C1=C(C)C(=C(C)N1)C(=O)C

Description

N-Acetyl-L-lysine has been used as a substrate for lysyl oxidase for synthesis of authentic -aminoadipic semialdehyde (AAS)-p-aminobenzoic acid (ABA). It may be used in the synthesis of amino acid adducts of 4,4-Methylenediphenyl diisocyanate (MDI).

Synthesis

  • Route1

    References

    • Antina; Guseva; Loginova; Semeikin; V'Yugin Russian Journal of General Chemistry, 2010 , vol. 80, # 11 p. 2374 - 2381
  • Route2

    References

    • Beshara, Cory S.; Thompson, Alison Journal of Organic Chemistry, 2005 , vol. 70, # 25 p. 10607 - 10610
  • Route3

    References

    • Mula, Soumyaditya; Ray, Alok K.; Banerjee, Manas; Chaudhuri, Tandrima; Dasgupta, Kamalesh; Chattopadhyay, Subrata Journal of Organic Chemistry, 2008 , vol. 73, # 6 p. 2146 - 2154

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   59.16
  • LogP   2.01084
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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