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CS-W001157 4
Total: USD 88.00

Ethyl 2-acetamido-3-oxobutanoate

  • CAS No. 5431-93-6

  • Cat. No. CS-0043660
  • Purity≥97%
  • MDL No.MFCD09761211

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

Ethyl 2-acetamido-3-oxobutanoate|CS-0043660

Structure of 5431-93-6

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General Information

  • CAS No. 5431-93-6
  • Cat. No. CS-0043660
  • Purity ≥97%
  • MDL No. MFCD09761211
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃NO₄
  • Molecular Weight 187.19
  • Synonym(s) Ethyl .alpha.-(acetylaMino)acetylacetate
  • SMILES CC(C(NC(C)=O)C(OCC)=O)=O

Synthesis

  • Route1

    References

    • Ghosh, Arun K.; Lei, Hui; Devasamudram, Thippeswamy; Tang, Jordan J. N.; Bilcer, Geoffrey; Liu, Chungfeng Patent: US2008/125467 A1, 2008 ; Location in patent: Page/Page column 20 ;
  • Route2

    References

    • Fernandez-Resa, Piedad; Herranz, Rosario; Conde, Santiago; Arribas, Enrique Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989 , p. 67 - 71
  • Route3

    References

    • GREEN GROSS CORPORATION; LEE, Jinhwa; SEO, Hee Jeong; KANG, Suk Youn; PARK, Eun-Jung; KIM, Min Ju; LEE, Suk Ho; KIM, Jong Yup; KIM, Jeongmin; JUNG, Myung Eun; KIM, Hyun Jung; KIM, Mi-Soon; HAN, Ho Kyun; AHN, Kwang Woo; LEE, Min Woo; LEE, Ki-Nam; PAE, Ae Nim; PARK, Woo-Kyu Patent: WO2011/5052 A2, 2011 ; WO 2011/005052 A2

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   72.47
  • LogP   -0.3568
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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