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CS-W001157 4
Total: USD 88.00

4-Methoxy-3-nitrobenzoic acid

  • CAS No. 89-41-8

  • Cat. No. CS-W015681
  • Purity≥98%
  • MDL No.MFCD00007256

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

4-Methoxy-3-nitrobenzoic acid|CS-W015681

Structure of 89-41-8

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General Information

  • CAS No. 89-41-8
  • Cat. No. CS-W015681
  • Purity ≥98%
  • MDL No. MFCD00007256
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.14
  • Synonym(s) 4-methoxy-3-nitrobenzoate
  • SMILES O=C(O)C1=CC=C(OC)C([N+]([O-])=O)=C1

Description

4-Methoxy-3-nitrobenzoic acid was used in the synthesis of:BIPHEP-1-OMe [BIHEP= (2,2-bis(diphenylphosphino)biphenyl)], precatalyst for reductive coupling of butadiene to aldehydesaniline mustard analogues, having potential anti-tumor activity

Synthesis

  • Route1
    • p-Anisic acid, ≥99%|CS-1268349
      100-09-4
    • ~89%
    • In-stock
      4-Methoxy-3-nitrobenzoic acid|CS-W015681
      89-41-8

    References

    • EP1621528 A1, ; Page/Page column 4 ;
  • Route2

    References

    • Canadian Journal of Chemistry, , vol. 66, p. 1670 - 1674
  • Route3
    • null|null
      108540-67-6
    • ~%
    • In-stock
      4-Methoxy-3-nitrobenzoic acid|CS-W015681
      89-41-8

    References

    • Synthetic Communications, , vol. 17, # 4 p. 457 - 464

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-H401
Precautionary Statements : P264-P270-P273-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.3016
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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