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Chemical Structure| 884504-55-6 Chemical Structure| 884504-55-6

Structure of 884504-55-6

Chemical Structure| 884504-55-6

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Product Details of [ 884504-55-6 ]

CAS No. :884504-55-6
Formula : C8H13NO3
M.W : 171.19
SMILES Code : O=C(OC(C)(C)C)CCN=C=O
MDL No. :MFCD00079726

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Application In Synthesis of [ 884504-55-6 ]

* 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.

  • Downstream synthetic route of [ 884504-55-6 ]

[ 884504-55-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 884504-55-6 ]
  • [ 134272-64-3 ]
  • 3-{3-[2-(2,5-dioxo-2,5-dihydropyrrol-1-yl)ethyl]ureido}propionic acid tert-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
71.4% With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20℃; for 0.166667h; N-(2-Aminoethyl)maleimide hydrochloride (635.7 mg, 3.60 mmol) was dissolved in CH2Cl2 (20 mL) and DIPEA (1.5 mL, 88.1 mmol), and the solution was cooled to approximately 0 C. A solution of 3-isocyanato-1,1-dimethylethyl ester (prepared in the previous step) in CH2Cl2 (10 mL) was added. The resulting mixture was stirred for 10 min at room temperature. The reaction was concentrated under vacuum. Purification of the residue by column chromatography (from CH2Cl2 to CH2Cl2/MeOH=15:1) afforded the title compound (910 mg, 2.93 mmol, 71.4% yield) as a white powder. 1H NMR (500 MHz, CDCl3): delta 6.71 (s, 2H), 3.68-3.64 (m, 2H), 3.41-3.38 (m, 2H), 3.37 (t, J=5.9 Hz, 2H), 2.42 (t, J=5.7 Hz, 2H), 1.44 (s, 9H). MS m/z+ for [C14H21N3O5] (M+H) cald: 312.33; found: 312.1590.
 

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