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CS-W001157 4
Total: USD 88.00

2-(1,3-Dimethoxy-1,3-dioxopropan-2-yl)-4-nitrobenzoic acid

  • CAS No. 186390-71-6

  • Cat. No. CS-M0235
  • Molecule weight297.22
  • Purity≥98%
  • MDL No.None

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

2-(1,3-Dimethoxy-1,3-dioxopropan-2-yl)-4-nitrobenzoic acid|CS-M0235

Structure of 186390-71-6

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General Information

  • CAS No. 186390-71-6
  • Cat. No. CS-M0235
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₈
  • Molecular Weight 297.22
  • Synonym(s) Propanedioic acid,(2-carboxy-5-nitrophenyl)-,1,3-dimethyl ester
  • SMILES O=C(C(C1=CC([N+]([O-])=O)=CC=C1C(O)=O)C(OC)=O)OC

Synthesis

  • Route1

    References

    • Quallich, George J.; Makowski, Teresa W.; Sanders, Andrew F.; Urban, Frank J.; Vazquez, Enrique Journal of Organic Chemistry, 1998 , vol. 63, # 12 p. 4116 - 4119
  • Route2

    References

    • PFIZER INC. Patent: EP1181954 A2, 2002 ;
  • Route3
    • In-stock
      NSC 150|CS-W008613
      99-60-5
    • null|null
      105-53-3
    • ~0%
    • null|null
      52962-35-3
    • 2-(1,3-Dimethoxy-1,3-dioxopropan-2-yl)-4-nitrobenzoic acid|CS-M0235
      186390-71-6

    References

    • Quallich, George J.; Makowski, Teresa W.; Sanders, Andrew F.; Urban, Frank J.; Vazquez, Enrique Journal of Organic Chemistry, 1998 , vol. 63, # 12 p. 4116 - 4119

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

Quality Control

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Computational Chemistry Data

  • TPSA   133.04
  • LogP   0.7226
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   5

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