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CS-W001157 4
Total: USD 88.00

1-Benzyl-2,5-dihydro-1h-pyrrole-3-carboxylic acid methyl ester

  • CAS No. 101046-34-8

  • Cat. No. CS-0213307
  • Purity95+%
  • MDL No.MFCD05662773

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

1-Benzyl-2,5-dihydro-1h-pyrrole-3-carboxylic acid methyl ester|CS-0213307

Structure of 101046-34-8

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General Information

  • CAS No. 101046-34-8
  • Cat. No. CS-0213307
  • Purity 95+%
  • MDL No. MFCD05662773
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₂
  • Molecular Weight 217.26
  • Synonym(s) Methyl 1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylate
  • SMILES COC(=O)C1=CCN(CC2=CC=CC=C2)C1

Synthesis

  • Route1

    References

    • Terao, Yoshiyasu; Kotaki, Hiromi; Imai, Nobuyuki; Achiwa, Kazuo Chemical & Pharmaceutical Bulletin, 1985 , vol. 33, # 7 p. 2762 - 2766
  • Route2
    • null|null
      93102-06-8
    • null|null
      922-67-8
    • ~63%
    • 1-Benzyl-2,5-dihydro-1h-pyrrole-3-carboxylic acid methyl ester|CS-0213307
      101046-34-8

    References

    • Pichon, Nicolas; Harrison-Marchand, Anne; Mailliet, Patrick; Maddaluno, Jacques Journal of Organic Chemistry, 2004 , vol. 69, # 21 p. 7220 - 7227
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 50, # 21 p. 4006 - 4014

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   29.54
  • LogP   1.6016
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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