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Chemical Structure| 1007112-51-7 Chemical Structure| 1007112-51-7

Structure of 1007112-51-7

Chemical Structure| 1007112-51-7

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Product Details of [ 1007112-51-7 ]

CAS No. :1007112-51-7
Formula : C9H8N2O3
M.W : 192.17
SMILES Code : O=C(C1=C2N=C(N)OC2=CC=C1)OC
MDL No. :MFCD20527697

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Application In Synthesis of [ 1007112-51-7 ]

* 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.

  • Downstream synthetic route of [ 1007112-51-7 ]

[ 1007112-51-7 ] Synthesis Path-Downstream   1~2

  • 1
  • di(imidazol-1-yl)methanamine [ No CAS ]
  • [ 17672-21-8 ]
  • [ 1007112-51-7 ]
YieldReaction ConditionsOperation in experiment
50% In tetrahydrofuran; for 17h;Heating / reflux;Product distribution / selectivity; Step B: Synthesis of methyl 2-aminobenzoxazole-4-carboxylate: To a solution of di(1H-imidazole-1-yl)methanamine (2.05 g, 12.26 mmol) in THF (60 mL) was added methyl-2-amino-3-hydroxybenzoate (1.98 g, 12.26 mmol) at room temperature and the resulting reaction mixture was heated to reflux for 17 h. The reaction mixture was cooled to room temperature, diluted with EtOAc (100 mL) and washed with H2O (3×100 mL), saturated ammonium chloride (2×100 mL), dried (Na2SO4), filtered and concentrated under reduced pressure. The crude material was purified by recrystallization from diethyl ether to afford methyl 2-aminobenzoxazole-4-carboxylate (1.10 g, 50%) as a brown solid. 1H NMR and MS consistent; Step A: To a solution of di (1H-imidazole-1-yl)methanamine (2.05 g, 12.26 mmol) in THF (60 mL) was added methyl-2-amino-3-hydroxybenzoate (1.98 g, 12.26 mmol) at room temperature and the resulting reaction mixture was heated to reflux for 17 h. The reaction mixture was cool to room temperature, diluted with EtOAc (100 mL) and washed with H2O (3×100 mL), saturated ammonium chloride (2×100 mL), dried (Na2SO4), filtered and concentrated under reduced pressure. The crude material was purified by recrystallization from diethyl ether to afford methyl 2-aminobenzoxazole-4-carboxylate (1.10 g, 50%) as a brown solid. 1H NMR and MS consistent.
  • 2
  • [ 17672-21-8 ]
  • [ 104619-51-4 ]
  • [ 1007112-51-7 ]
 

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