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CS-W001157 4
Total: USD 88.00

Methyl 4-amino-3-(methylamino)benzoate

  • CAS No. 616224-38-5

  • Cat. No. CS-0096408
  • Purity≥96%
  • MDL No.None

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

Methyl 4-amino-3-(methylamino)benzoate|CS-0096408

Structure of 616224-38-5

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General Information

  • CAS No. 616224-38-5
  • Cat. No. CS-0096408
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₂
  • Molecular Weight 180.20
  • Synonym(s) 4-amino-3-methylamino-benzoic acid methyl ester
  • SMILES O=C(OC)C1=CC=C(N)C(NC)=C1

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GmbH; BOEHRINGER INGELHEIM PHARMA GmbH and CO KG Patent: WO2005/80388 A1, 2005 ; Location in patent: Page/Page column 89 ; WO 2005/080388 A1
  • Route2
    • null|null
      616224-36-3
    • ~67%
    • In-stock
      Methyl 4-amino-3-(methylamino)benzoate|CS-0096408
      616224-38-5

    References

    • TEIJIN LIMITED Patent: EP1502916 A1, 2005 ; Location in patent: Page 441 ; EP 1502916 A1
  • Route3
    • null|null
      124-38-9
    • In-stock
      Methyl 3,4-diaminobenzoate|CS-W007431
      36692-49-6
    • ~45%
    • In-stock
      Methyl 4-amino-3-(methylamino)benzoate|CS-0096408
      616224-38-5

    References

    • Li, Yuehui; Sorribes, Ivan; Yan, Tao; Junge, Kathrin; Beller, Matthias Angewandte Chemie - International Edition, 2013 , vol. 52, # 46 p. 12156 - 12160 Angew. Chem., 2013 , vol. 125, # 46 p. 12378 - 12382,5

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   64.35
  • LogP   1.0971
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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