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CS-W001157 4
Total: USD 88.00

Methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate

  • CAS No. 334952-07-7

  • Cat. No. CS-0005889
  • Molecule weight253.21
  • Purity≥98%
  • MDL No.MFCD18207133

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

Methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate|CS-0005889

Structure of 334952-07-7

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General Information

  • CAS No. 334952-07-7
  • Cat. No. CS-0005889
  • Purity ≥98%
  • MDL No. MFCD18207133
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₆
  • Molecular Weight 253.21
  • Synonym(s) Methyl 2-(4-Methoxycarbonyl-2-nitrophenyl)acetate
  • SMILES O=C(OC)C(C=C1[N+]([O-])=O)=CC=C1CC(OC)=O

Synthesis

  • Route1

    References

    • Roth, Gerald J.; Heckel, Armin; Colbatzky, Florian; Handschuh, Sandra; Kley, Joerg; Lehmann-Lintz, Thorsten; Lotz, Ralf; Tontsch-Grunt, Ulrike; Walter, Rainer; Hilberg, Frank Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4466 - 4480
  • Route2
    • null|null
      67-56-1
    • 4-(Carboxymethyl)-3-nitrobenzoic acid|CS-0452586
      444667-11-2
    • ~70%
    • Methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate|CS-0005889
      334952-07-7

    References

    • Schaper, Klaus; Abdollah Madani Mobarekeh; Grewer, Christof European Journal of Organic Chemistry, 2002 , # 6 p. 1037 - 1046
  • Route3

    References

    • Schaper, Klaus; Abdollah Madani Mobarekeh; Grewer, Christof European Journal of Organic Chemistry, 2002 , # 6 p. 1037 - 1046

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   95.74
  • LogP   1.0969
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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