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CS-W001157 4
Total: USD 88.00

p-(Methoxycarbonylmethyl)aniline

  • CAS No. 39552-81-3

  • Cat. No. CS-0028736
  • Purity≥97%
  • MDL No.MFCD06200783

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

p-(Methoxycarbonylmethyl)aniline|CS-0028736

Structure of 39552-81-3

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General Information

  • CAS No. 39552-81-3
  • Cat. No. CS-0028736
  • Purity ≥97%
  • MDL No. MFCD06200783
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) None
  • SMILES O=C(OC)CC1=CC=C(N)C=C1

Description

p-(Methoxycarbonylmethyl)aniline features a para-substituted aniline core bearing a methoxycarbonylmethyl group, enabling direct incorporation into peptide mimetics and bioconjugation strategies. The ester functionality offers tunable reactivity under mild hydrolytic conditions, while the aromatic amine remains accessible for derivatization. This compound serves as a key intermediate in the synthesis of functionalized pharmaceuticals and advanced materials.

Synthesis

  • Route1

    References

    • Kang, Dong Wook; Kim, Yong Soo; Lim, Kwang Su; Kim, Myeong Seop; Pearce, Larry V.; Pavlyukovets, Vladimir A.; Tao, Andy K.; Lang-Kuhs, Krystle A.; Blumberg, Peter M.; Lee, Jeewoo Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 22 p. 8092 - 8105
  • Route2

    References

    • MethylGene, Inc. Patent: US6541661 B1, 2003 ;
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-Aminophenylacetic acid|CS-W018535
      1197-55-3
    • ~63%
    • In-stock
      p-(Methoxycarbonylmethyl)aniline|CS-0028736
      39552-81-3

    References

    • Kasagami, Takeo; Kim, In-Hae; Tsai, Hsing-Ju; Nishi, Kosuke; Hammock, Bruce D.; Morisseau, Christophe Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 6 p. 1784 - 1789

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   52.32
  • LogP   0.9843
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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