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Chemical Structure| 332066-58-7 Chemical Structure| 332066-58-7

Structure of 332066-58-7

Chemical Structure| 332066-58-7

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Product Details of [ 332066-58-7 ]

CAS No. :332066-58-7
Formula : C8H12N2O3
M.W : 184.19
SMILES Code : O=C(C1=CNN=C1OCC)OCC
Boiling Point : No data available

Safety of [ 332066-58-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 332066-58-7 ]

* 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 [ 332066-58-7 ]
  • Downstream synthetic route of [ 332066-58-7 ]

[ 332066-58-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 332066-58-7 ]
  • [ 1207431-91-1 ]
YieldReaction ConditionsOperation in experiment
47% With N-iodo-succinimide In cyclohexane for 24 h; Reflux Compound 8 (0.74 g; 4.02 mmol) and N-bromosuccinimide (0.75 g; 4.22 mmol) or N-iodosuccinimide (0.94 g, 4.22 mmol) were refluxed in cyclohexane (50 mL) for 30 minutes or 24 hours. The resulting suspension was concentrated to dryness and purified by a chromatography over silica gel (dichloromethane / ethanol 98-2) to yield compound 12a (0.75 g; 60 percent) or 12b (0.5 g; 47 percent) . Ethyl 3-bromo-5-ethoxy-1H-pyrazole-4-carboxylate (12b): Obtained as white crystals. 1H (CDCl3): 1.40 (t, 3H, J = 7.0); 1.48 (t, 3H, J = 7.0); 4.33 (m, 4H); 9.5 (s(l), 1H). 13C (CDCl3; two broad signals only visible if D1 is increased to 10): 14.2; 14.5; 60.4; 65.7; 99.0; 119.5 (br); 161.6 (br); 162.0. HRMS: Calcd. for C8H11BrN2O3 + H : 263.0031. Found: m/z, 263.0049.
References: [1] Patent: EP2151434, 2010, A1, . Location in patent: Page/Page column 8-9; 12.
 

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