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CS-W001157 4
Total: USD 88.00

Ethyl 3-phenyl-1H-pyrazole-5-carboxylate

  • CAS No. 13599-12-7

  • Cat. No. CS-0166770
  • Purity≥98%
  • MDL No.MFCD02130942

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

Ethyl 3-phenyl-1H-pyrazole-5-carboxylate|CS-0166770

Structure of 13599-12-7

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General Information

  • CAS No. 13599-12-7
  • Cat. No. CS-0166770
  • Purity ≥98%
  • MDL No. MFCD02130942
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂O₂
  • Molecular Weight 216.24
  • Synonym(s) Ethyl 3-phenylpyrazole-5-carboxylate
  • SMILES O=C(C1=CC(C2=CC=CC=C2)=NN1)OCC

Synthesis

  • Route1
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • null|null
      95-92-1
    • ~79%
    • In-stock
      Ethyl 3-phenyl-1H-pyrazole-5-carboxylate|CS-0166770
      13599-12-7

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2007/18314 A2, 2007 ; Location in patent: Page/Page column 115 ; WO 2007/018314 A2
  • Route2
    • null|null
      1381932-39-3
    • null|null
      1576-35-8
    • ~79%
    • In-stock
      Ethyl 3-phenyl-1H-pyrazole-5-carboxylate|CS-0166770
      13599-12-7

    References

    • Shao, Nana; Chen, Tong; Zhang, Taotao; Zhu, Huajian; Zheng, Qunxiong; Zou, Hongbin Tetrahedron, 2014 , vol. 70, # 4 p. 795 - 799
  • Route3

    References

    • Jagath Reddy; Latha; Srinivasa Rao Organic Preparations and Procedures International, 2004 , vol. 36, # 5 p. 494 - 498

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   54.98
  • LogP   2.2534
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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