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CS-W001157 4
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Glycopyrronium impurity 3

  • CAS No. 15206-55-0

  • Cat. No. CS-0030595
  • Molecule weight164.16
  • Purity≥98%
  • MDL No.MFCD00008443

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

Glycopyrronium impurity 3|CS-0030595

Structure of 15206-55-0

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General Information

  • CAS No. 15206-55-0
  • Cat. No. CS-0030595
  • Purity ≥98%
  • MDL No. MFCD00008443
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) None
  • SMILES O=C(OC)C(=O)C=1C=CC=CC1

Description

Methyl benzoylformate serves as a key synthon in heterocyclic synthesis, featuring a reactive α-keto ester moiety flanked by aromatic and methyl groups. This structure enables efficient cyclization under mild conditions, delivering substituted pyrones and related scaffolds with high regiocontrol. The compound exhibits stability under standard bench protocols and integrates seamlessly into multi-step sequences for natural product analogs.

Application

Methyl benzoylformate serves as a versatile synthon in organic synthesis, enabling efficient construction of substituted benzoic acid derivatives and heterocyclic scaffolds. Its α-keto ester functionality facilitates nucleophilic additions, Claisen condensations, and cyclization reactions under mild conditions. The compound exhibits good bench stability and is readily purified by distillation or chromatography, making it suitable for scalable laboratory applications.

Synthesis

  • Route1
    • null|null
      424792-59-6
    • ~%
    • In-stock
      Glycopyrronium impurity 3|CS-0030595
      15206-55-0
    • In-stock
      2-Cyclohexyl-2-hydroxy-2-phenylacetic acid|CS-0156519
      4335-77-7

    References

    • US2003/13911 A1, ;
  • Route2
    • null|null
      37167-62-7
    • ~75%
    • In-stock
      Glycopyrronium impurity 3|CS-0030595
      15206-55-0

    References

    • Su, Yijin; Zhang, Liangren; Jiao, Ning Organic Letters, 2011 , vol. 13, # 9 p. 2168 - 2171
  • Route3
    • null|null
      67-56-1
    • In-stock
      Phenylglyoxal|CS-0130526
      1074-12-0
    • ~67%
    • In-stock
      Glycopyrronium impurity 3|CS-0030595
      15206-55-0

    References

    • Zhang, Zhenlei; Su, Jihu; Zha, Zhenggen; Wang, Zhiyong Chemistry - A European Journal, 2013 , vol. 19, # 52 p. 17711 - 17714

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   43.37
  • LogP   1.0423
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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