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CS-W001157 4
Total: USD 88.00

2-(4-Methoxy-2-nitrophenyl)acetic acid

  • CAS No. 20876-30-6

  • Cat. No. CS-0042890
  • Molecule weight211.17
  • Purity≥95%
  • MDL No.None

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

2-(4-Methoxy-2-nitrophenyl)acetic acid|CS-0042890

Structure of 20876-30-6

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General Information

  • CAS No. 20876-30-6
  • Cat. No. CS-0042890
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) 4-Methoxy-2-nitro-benzeneacetic acid
  • SMILES O=C(O)CC1=CC=C(OC)C=C1[N+]([O-])=O

Description

This acetic acid derivative features a methoxy-substituted nitroaryl group, offering enhanced solubility and stability in organic synthesis. The para-nitro functionality enables efficient coupling reactions, while the ortho-methoxy substituent modulates electronic properties. Ideal for constructing complex scaffolds in medicinal chemistry and materials science applications.

Application

2-(4-Methoxy-2-nitrophenyl)acetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of nitro-substituted aryl acetic acid derivatives. Its ortho-nitro and para-methoxy groups provide complementary electronic modulation and enhance reactivity in coupling and reduction processes. The carboxylic acid functionality facilitates straightforward derivatization, while the molecule exhibits good bench stability and ease of purification—key attributes for scalable synthetic workflows.

Synthesis

  • Route1
    • null|null
      10565-15-8
    • ~99%
    • In-stock
      2-(4-Methoxy-2-nitrophenyl)acetic acid|CS-0042890
      20876-30-6

    References

    • LABORATOIRES SERONO SA Patent: WO2008/101979 A1, 2008 ; Location in patent: Page/Page column 72-73 ;
  • Route2
    • 2-(4-Methoxy-2-nitrophenyl)acetonitrile|CS-0316708
      105003-90-5
    • ~77%
    • In-stock
      2-(4-Methoxy-2-nitrophenyl)acetic acid|CS-0042890
      20876-30-6

    References

    • Loewe, Werner; Witzel, Sonja; Tappmeyer, Silvia; Albuschat, Rica Journal of Heterocyclic Chemistry, 2004 , vol. 41, # 3 p. 317 - 326
  • Route3
    • 1-Chloro-4-methoxy-2-nitrobenzene Iguratimod Impurity|CS-0514516
      10298-80-3
    • ~%
    • In-stock
      2-(4-Methoxy-2-nitrophenyl)acetic acid|CS-0042890
      20876-30-6

    References

    • Loewe, Werner; Witzel, Sonja; Tappmeyer, Silvia; Albuschat, Rica Journal of Heterocyclic Chemistry, 2004 , vol. 41, # 3 p. 317 - 326

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   89.67
  • LogP   1.2305
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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