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CS-W001157 4
Total: USD 88.00

DIETHYL 3-AMINO-1H-PYRROLE-2,4-DICARBOXYLATE

  • CAS No. 853058-40-9

  • Cat. No. CS-0061595
  • Molecule weight226.23
  • Purity≥97%
  • MDL No.None

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

DIETHYL 3-AMINO-1H-PYRROLE-2,4-DICARBOXYLATE|CS-0061595

Structure of 853058-40-9

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General Information

  • CAS No. 853058-40-9
  • Cat. No. CS-0061595
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₂O₄
  • Molecular Weight 226.23
  • Synonym(s) Diethyl 3-amino-1H-2,4-pyrroledicarboxylate
  • SMILES CCOC(=O)C1=CNC(=C1N)C(=O)OCC

Synthesis

  • Route1

    References

    • Bender, John A.; Yang, Zhong; Kadow, John F.; Meanwell, Nicholas A. Patent: US2005/124623 A1, 2005 ; Location in patent: Page/Page column 43 ;
  • Route2
    • null|null
      144918-37-6
    • In-stock
      Diethyl aminomalonate hydrochloride|CS-W019859
      13433-00-6
    • ~82%
    • DIETHYL 3-AMINO-1H-PYRROLE-2,4-DICARBOXYLATE|CS-0061595
      853058-40-9

    References

    • ARRAY BIOPHARMA INC.; GENENTECH, INC.; ALIAGAS, Ignacio; GRADL, Stefan; GUNZNER, Janet; MATHIEU, Simon; PULK, Rebecca; RUDOLPH, Joachim; WEN, Zhaoyang; GRINA, Jonas; HANSEN, Joshua D.; LAIRD, Ellen; MORENO, David; REN, Li; WENGLOWSKY, Steven Mark Patent: WO2011/25940 A1, 2011 ; Location in patent: Page/Page column 85 ; WO 2011/025940 A1
  • Route3

    References

    • US6693193 B1, ; Page column 14 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   94.41
  • LogP   0.9503
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

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