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CS-W001157 4
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Ethyl 3-(benzyl(2-ethoxy-2-oxoethyl)amino)propanoate

  • CAS No. 795-18-6

  • Cat. No. CS-0037563
  • Purity95+%
  • MDL No.None

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

Ethyl 3-(benzyl(2-ethoxy-2-oxoethyl)amino)propanoate|CS-0037563

Structure of 795-18-6

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General Information

  • CAS No. 795-18-6
  • Cat. No. CS-0037563
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₃NO₄
  • Molecular Weight 293.36
  • Synonym(s) Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate
  • SMILES CCOC(=O)CCN(CC1=CC=CC=C1)CC(=O)OCC

Synthesis

  • Route1

    References

    • KYOWA HAKKO KOGYO CO., LTD. Patent: EP1552842 A1, 2005 ; Location in patent: Page/Page column 301 ;
  • Route2

    References

    • Colon-Cruz, Roberto; Didiuk, Mary T.; Duffy, Erin M.; Garigipati, Ravi; Lau, Wan F.; McDonald, Wayne S. Patent: US2003/8893 A1, 2003 ; US 20030008893 A1
  • Route3

    References

    • THE SCRIPPS RESEARCH INSTITUTE; CARROLL, Kate, S. Patent: WO2014/89546 A1, 2014 ; Location in patent: Sheet 23 ;

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

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Computational Chemistry Data

  • TPSA   55.84
  • LogP   2.0049
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   9

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