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CS-W001157 4
Total: USD 88.00

Ethyl 4-amino-3,5-dimethylbenzoate

  • CAS No. 3095-47-4

  • Cat. No. CS-0450837
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-amino-3,5-dimethylbenzoate|CS-0450837

Structure of 3095-47-4

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General Information

  • CAS No. 3095-47-4
  • Cat. No. CS-0450837
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₂
  • Molecular Weight 193.24
  • Synonym(s) Benzoic acid, 4-amino-3,5-dimethyl-, ethyl ester
  • SMILES CCOC(=O)C1=CC(=C(C(=C1)C)N)C

Synthesis

  • Route1
    • Ethyl 3,5-dimethyl-4-nitrobenzoate|CS-0361507
      3095-50-9
    • ~%
    • Ethyl 4-amino-3,5-dimethylbenzoate|CS-0450837
      3095-47-4

    References

    • Nishioka, Hidenori; Liang, Xingguo; Asanuma, Hiroyuki Chemistry - A European Journal, 2010 , vol. 16, # 7 p. 2054 - 2062
  • Route2
    • 3,5-Dimethyl-4-nitrobenzoic acid|CS-0206008
      3095-38-3
    • ~%
    • Ethyl 4-amino-3,5-dimethylbenzoate|CS-0450837
      3095-47-4

    References

    • Wheeler; Hoffman American Chemical Journal, 1910 , vol. 44, p. 123 American Chemical Journal, 1910 , vol. 44, p. 508
  • Route3

    References

    • Wheeler; Hoffman American Chemical Journal, 1910 , vol. 44, p. 123 American Chemical Journal, 1910 , vol. 44, p. 508

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   2.06234
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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