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2-[(3,4-dimethoxyphenyl)formamido]acetic acid

  • CAS No. 59893-89-9

  • Cat. No. CS-0219417
  • Molecule weight239.22
  • Purity≥97%
  • MDL No.None

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

2-[(3,4-dimethoxyphenyl)formamido]acetic acid|CS-0219417

Structure of 59893-89-9

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General Information

  • CAS No. 59893-89-9
  • Cat. No. CS-0219417
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₅
  • Molecular Weight 239.22
  • Synonym(s) (3,4-Dimethoxy-benzoylamino)-acetic acid
  • SMILES COC1=C(OC)C=C(C(NCC(O)=O)=O)C=C1

Synthesis

  • Route1
    • null|null
      1253936-77-4
    • ~85%
    • 2-[(3,4-dimethoxyphenyl)formamido]acetic acid|CS-0219417
      59893-89-9

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; KOWALSKI, Jennifer A.; MARSHALL, Daniel Richard; PROKOPOWICZ, Anthony S. III; SCHLYER, Sabine; SIBLEY, Robert; SORCEK, Ronald John; WU, Di; WU, Frank; YOUNG, Erick Richard Roush Patent: WO2010/126811 A1, 2010 ; Location in patent: Page/Page column 151-152 ; WO 2010/126811 A1
  • Route2

    References

    • ALIOS BIOPHARMA, INC.; WANG, Guangyi; BEIGELMAN, Leonid; TRUONG, Anh; NAPOLITANO, Carmela; ANDREOTTI, Daniele; HE, Haiying Patent: WO2014/31784 A1, 2014 ;
  • Route3

    References

    • Redel; Bouteville Bulletin de la Societe Chimique de France, 1949 , p. 443,446

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   84.86
  • LogP   0.5182
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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