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CS-W001157 4
Total: USD 88.00

benZyl 3,5-dimethylpyrrole-2-carboxylate

  • CAS No. 40236-19-9

  • Cat. No. CS-0235754
  • Purity≥98%
  • MDL No.None

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

benZyl 3,5-dimethylpyrrole-2-carboxylate|CS-0235754

Structure of 40236-19-9

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General Information

  • CAS No. 40236-19-9
  • Cat. No. CS-0235754
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₂
  • Molecular Weight 229.27
  • Synonym(s) Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
  • SMILES O=C(C1=C(C)C=C(C)N1)OCC2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      96246-81-0
    • ~62%
    • benZyl 3,5-dimethylpyrrole-2-carboxylate|CS-0235754
      40236-19-9

    References

    • Smith, Kevin M.; Minnetian, Ohannes M. Journal of Organic Chemistry, 1985 , vol. 50, # 12 p. 2073 - 2080
  • Route2
    • null|null
      2386-27-8
    • ~99%
    • benZyl 3,5-dimethylpyrrole-2-carboxylate|CS-0235754
      40236-19-9

    References

    • Regourd, Jasmine; Comeau, Ian M.; Beshara, Cory S.; Thompson, Alison Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 6 p. 1709 - 1714
  • Route3

    References

    • Robinson, John A.; McDonald, Edward; Battersby, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1699 - 1710

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.98854
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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