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Methyl 3-(((tert-butoxycarbonyl)amino)methyl)benzoate

  • CAS No. 180863-55-2

  • Cat. No. CS-0154394
  • Purity≥97%
  • MDL No.MFCD14583094

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

Methyl 3-(((tert-butoxycarbonyl)amino)methyl)benzoate|CS-0154394

Structure of 180863-55-2

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General Information

  • CAS No. 180863-55-2
  • Cat. No. CS-0154394
  • Purity ≥97%
  • MDL No. MFCD14583094
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₄
  • Molecular Weight 265.30
  • Synonym(s) Methyl 3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]benzoate
  • SMILES CC(C)(OC(NCC1=CC(C(OC)=O)=CC=C1)=O)C

Synthesis

  • Route1

    References

    • Evotec OAI AG; DeveloGen Aktiengesellschaft Patent: EP1655283 A1, 2006 ; Location in patent: Page/Page column 11; 15 ;
  • Route2

    References

    • Molander, Gary A.; Shin, Inji Organic Letters, 2011 , vol. 13, # 15 p. 3956 - 3959
  • Route3
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • Methyl 3-(aminomethyl)benzoate|CS-0462203
      93071-65-9
    • ~%
    • In-stock
      Methyl 3-(((tert-butoxycarbonyl)amino)methyl)benzoate|CS-0154394
      180863-55-2

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1577302 A1, 2005 ; Location in patent: Page/Page column 116-117 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   2.4979
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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