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Chemical Structure| 87830-28-2 Chemical Structure| 87830-28-2

Structure of 87830-28-2

Chemical Structure| 87830-28-2

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Product Details of [ 87830-28-2 ]

CAS No. :87830-28-2
Formula : C8H12Cl2N2
M.W : 207.10
SMILES Code : NC12C3C4C5(N)C3C1C5C24.[H]Cl.[H]Cl
MDL No. :MFCD28501782
InChI Key :XPDHJELXCHPFPS-UHFFFAOYSA-N
Pubchem ID :13199302

Safety of [ 87830-28-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 87830-28-2 ]

* 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 [ 87830-28-2 ]

[ 87830-28-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 32846-66-5 ]
  • [ 87830-28-2 ]
YieldReaction ConditionsOperation in experiment
14.5% A 50 mL round bottom flask, equipped with a magnetic stir bar, was charged with cubane-l,4-dicarboxylic acid (Aldrich, CAS 32846-66-5, 800 mg, 4.16 mmol), triethylamine (1.16 mL, 8.32 mmol), diphenylphosphoryl azide (1.8 mL, 8.35 mmol), and i-butanol (12.8 mL). The flask was fitted with a reflux condenser equipped with a calcium sulfate drying tube, and the reaction mixture was stirred at reflux for 16 hours. The reaction mixture was allowed to cool to ambient temperature, and then poured into saturated aqueous sodium bicarbonate (50 mL). The precipitate was collected by filtration and washed with water. The solid was dissolved in a hot mixture of dichloromethane, tetrahydrofuran, ethyl acetate, and ethanol. This warm solution was dried (MgSO/t) and filtered. The filtrate was concentrated under reduced pressure to give a beige solid that was treated with ether and collected by filtration. The crude, bis-(teri-butoxy- carbonyl)-protected intermediate was suspended in methanol (30 mL) and treated with 4 M HC1 in dioxane (30 mL, 120 mmol, 47.4 equivalents). The reaction mixture was stirred at ambient temperature for 4 hours. Volatiles were removed under reduced pressure to give a pale brown solid that was washed with diethyl ether and then with ethyl acetate. The solid was dissolved in hot methanol and treated with acetone to induce precipitation. The title intermediate solid was collected by filtration (125 mg, 14.5% yield). H NMR (methanol-<) delta ppm 4.23 (s, 6H). MS (DCI-NH3) m/z 135 (M+H)+, m/z 152 (M+NH4)+, mJz 169 (M+NH4+NH3)+.
 

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