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5-((1H-pyrrol-2-yl)methyl)-1H-pyrrole-2-carbaldehyde

  • CAS No. 36746-27-7

  • Cat. No. CS-0488538
  • Purity≥98%
  • MDL No.MFCD15424796

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

5-((1H-pyrrol-2-yl)methyl)-1H-pyrrole-2-carbaldehyde|CS-0488538

Structure of 36746-27-7

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General Information

  • CAS No. 36746-27-7
  • Cat. No. CS-0488538
  • Purity ≥98%
  • MDL No. MFCD15424796
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O
  • Molecular Weight 174.20
  • Synonym(s) 5-[(1H-Pyrrole-2-yl)methyl]-1-H-pyrrole-2-carboxylate
  • SMILES O=CC1=CC=C(CC2=CC=CN2)N1

Synthesis

  • Route1

    References

    • North Carolina State University Patent: US2008/221319 A1, 2008 ; Location in patent: Page/Page column 12; 14 ;
  • Route2
    • null|null
      216171-27-6
    • ~87%
    • 5-((1H-pyrrol-2-yl)methyl)-1H-pyrrole-2-carbaldehyde|CS-0488538
      36746-27-7

    References

    • Abell, Andrew D.; Nabbs, Brent K.; Battersby, Alan R. Journal of Organic Chemistry, 1998 , vol. 63, # 23 p. 8163 - 8169
  • Route3

    References

    • Ptaszek, Marcin; McDowell, Brian E.; Lindsey, Jonathan S. Journal of Organic Chemistry, 2006 , vol. 71, # 11 p. 4328 - 4331

Safety Information

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Computational Chemistry Data

  • TPSA   48.65
  • LogP   1.7461
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   3

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