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Chemical Structure| 51030-44-5 Chemical Structure| 51030-44-5

Structure of 51030-44-5

Chemical Structure| 51030-44-5

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Product Details of [ 51030-44-5 ]

CAS No. :51030-44-5
Formula : C12H17ClN2O3
M.W : 272.73
SMILES Code : N=C(OCC)CNC(OCC1=CC=CC=C1)=O.[H]Cl
MDL No. :MFCD08458238
InChI Key :SQITXEFBQKZHGW-UHFFFAOYSA-N
Pubchem ID :15567843

Safety of [ 51030-44-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 51030-44-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 51030-44-5 ]

[ 51030-44-5 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 64-17-5 ]
  • [ 3589-41-1 ]
  • [ 51030-44-5 ]
YieldReaction ConditionsOperation in experiment
54% at -10 - 20℃; for 3.5 h; (a)
2-benzyloxy-carbonyl-amino-acetimido-ethylester
47.6 g (250 mmol) 2-benzyloxy-carbonyl-amino-acetonitrile in 450 ml of ethanol are combined with 150 ml 5m ethanolic hydrochloric acid at -8° C. with cooling, while keeping the temperature below -5° C.
The mixture is stirred for 1.5 h at -10° C. and for 2 h at ambient temperature.
After evaporation i. vac.
the residue is triturated with diethyl ether, filtered off and dried i. vac.
Yield: 36.60 g (134.2 mmol, 54percent)
C12H16N2O3*HCl (236.29/272.73)
Mass spectrum: (M+H)+=237
References: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980, p. 2316 - 2321.
[2] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 9, p. 3185 - 3198.
[3] Patent: US2008/51578, 2008, A1, . Location in patent: Page/Page column 50.
[4] Journal of Medicinal Chemistry, 1982, vol. 25, # 12, p. 1466 - 1473.
[5] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 2001, vol. 56, # 6, p. 547 - 553.
  • 2
  • [ 3589-41-1 ]
  • [ 51030-44-5 ]
References: [1] Ser. chim. 26 <1949> 1, 5, .
  • 3
  • [ 6011-14-9 ]
  • [ 501-53-1 ]
  • [ 75-36-5 ]
  • [ 51030-44-5 ]
References: [1] Tetrahedron Letters, 1993, vol. 34, # 46, p. 7459 - 7462.
 

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