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Chemical Structure| 101512-21-4 Chemical Structure| 101512-21-4

Structure of 101512-21-4

Chemical Structure| 101512-21-4

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Product Details of [ 101512-21-4 ]

CAS No. :101512-21-4
Formula : C6H6N2O2
M.W : 138.12
SMILES Code : O=C(N)C1=CN=CC(O)=C1
MDL No. :MFCD01199201
InChI Key :UIJCDEKRKCCYIF-UHFFFAOYSA-N
Pubchem ID :354313

Safety of [ 101512-21-4 ]

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 [ 101512-21-4 ]

* 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 [ 101512-21-4 ]

[ 101512-21-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5400-78-2 ]
  • [ 101512-21-4 ]
  • methyl 5-(1-(3-nitrophenyl)ethoxy)nicotinate [ No CAS ]
YieldReaction ConditionsOperation in experiment
96% With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃; for 17h; Methyl 5-(1-(3-Nitrophenyl)ethoxy)nicotinate (ID31) To a solution of compound ID30 (1.02 g, 6.10 mmol), 5-hydroxynicotinamide (ID2, 766 mg, 5.00 mmol) and PPh3 (1.97 g, 7.51 mmol) in anhydrous THF (40 mL) at 0 C. was slowly added DIAD (1.45 mL, 7.49 mmol). The resulting mixture was allowed to stir at 0 C. for 1 h and then at rt for 16 h. After concentration, the oily residue was triturated with Et2O and hexanes and the organic solvents were pooled and concentration. The residue was purified by the flash column chromatography (0-40% EtOAc/hexanes) to give compound ID31 as a pale solid (1.46 g, 96%). 1H NMR (CDCl3, 600 MHz) delta 8.80 (d, J=1.2 Hz, 1H), 8.46 (d, J=2.4 Hz, 1H), 8.27 (dd, J=2.1, 2.1 Hz, 1H), 8.16 (ddd, J=8.4, 2.4, 1.2 Hz, 1H), 7.74-7.70 (m, 2H), 7.56 (dd, J=8.1, 8.1 Hz, 1H), 5.52 (q, J=6.6 Hz, 1H), 3.92 (s, 3H), 1.72 (d, J=6.6 Hz, 3H). HRMS (ESI+) calcd for C15H15N2O5 (M+H)+ 303.0975, found 303.0969.
 

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