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CS-W001157 4
Total: USD 88.00

Ethyl 4-amino-3-methylbenzoate

  • CAS No. 40800-65-5

  • Cat. No. CS-0151763
  • Purity≥98%
  • MDL No.MFCD03788450

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

Ethyl 4-amino-3-methylbenzoate|CS-0151763

Structure of 40800-65-5

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General Information

  • CAS No. 40800-65-5
  • Cat. No. CS-0151763
  • Purity ≥98%
  • MDL No. MFCD03788450
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) Benzoic acid, 4-amino-3-methyl-, ethyl ester
  • SMILES CCOC(=O)C1=CC=C(C(=C1)C)N

Synthesis

  • Route1

    References

    • Bhuiyan, M. Delower H.; Zhu, Kai-Xian; Jensen, Paul; Try, Andrew C. European Journal of Organic Chemistry, 2010 , # 24 p. 4662 - 4670
  • Route2
    • null|null
      64-17-5
    • In-stock
      4-Amino-3-methylbenzoic acid|CS-W018121
      2486-70-6
    • ~99%
    • In-stock
      Ethyl 4-amino-3-methylbenzoate|CS-0151763
      40800-65-5

    References

    • Uchida, Hiroshi; Asagarasu, Akira; Matsui, Teruaki Patent: US2013/79306 A1, 2013 ; Location in patent: Paragraph 0280; 0281; 0282; 0283 ;
  • Route3

    References

    • Doppler,T. et al. Helvetica Chimica Acta, 1979 , vol. 62, p. 271 - 303

Safety Information

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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-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.75392
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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