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CS-W001157 4
Total: USD 88.00

Methyl 3-amino-4-[(1-methylethyl)amino]benzoate

  • CAS No. 511240-22-5

  • Cat. No. CS-0206566
  • Molecule weight208.26
  • Purity≥96%
  • MDL No.MFCD01570644

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

Methyl 3-amino-4-[(1-methylethyl)amino]benzoate|CS-0206566

Structure of 511240-22-5

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General Information

  • CAS No. 511240-22-5
  • Cat. No. CS-0206566
  • Purity ≥96%
  • MDL No. MFCD01570644
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆N₂O₂
  • Molecular Weight 208.26
  • Synonym(s) Methyl 3-Amino-4-(Isopropylamino)Benzoate
  • SMILES CC(C)NC1=C(C=C(C=C1)C(=O)OC)N

Synthesis

  • Route1
    • Methyl 4-(isopropylamino)-3-nitrobenzoate|CS-0336300
      234751-02-1
    • ~%
    • Methyl 3-amino-4-[(1-methylethyl)amino]benzoate|CS-0206566
      511240-22-5

    References

    • McClure, Kim F.; Abramov, Yuriy A.; Laird, Ellen R.; Barberia, John T.; Cai, Weiling; Carty, Thomas J.; Cortina, Santo R.; Danley, Dennis E.; Dipesa, Alan J.; Donahue, Kathleen M.; Dombroski, Mark A.; Elliott, Nancy C.; Gabel, Christopher A.; Han, Seungil; Hynes, Thomas R.; LeMotte, Peter K.; Mansour, Mahmoud N.; Marr, Eric S.; Letavic, Michael A.; Pandit, Jayvardhan; Ripin, David B.; Sweeney, Francis J.; Tan, Douglas; Tao, Yong Journal of Medicinal Chemistry, 2005 , vol. 48, # 18 p. 5728 - 5737
  • Route2

    References

    • Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming ACS Combinatorial Science, 2013 , vol. 15, # 10 p. 551 - 555
  • Route3

    References

    • Chen, Li-Hsun; Chuang, Ying-Sheng; Narhe, Bharat D.; Sun, Chung-Ming RSC Advances, 2013 , vol. 3, # 33 p. 13934 - 13943

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   1.8757
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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