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Chemical Structure| 1007875-95-7 Chemical Structure| 1007875-95-7

Structure of 1007875-95-7

Chemical Structure| 1007875-95-7

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Product Details of [ 1007875-95-7 ]

CAS No. :1007875-95-7
Formula : C9H9NO3
M.W : 179.17
SMILES Code : O=C(C1=C2OCCNC2=CC=C1)O
MDL No. :MFCD11848184

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Application In Synthesis of [ 1007875-95-7 ]

* 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 [ 1007875-95-7 ]

[ 1007875-95-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1007875-95-7 ]
  • [ 68176-57-8 ]
  • [ 1334176-31-6 ]
  • 2
  • [ 1007875-95-7 ]
  • [ 68176-57-8 ]
  • [ 1191921-29-5 ]
YieldReaction ConditionsOperation in experiment
85% (Step 5)Preparation of 4-(5-tert-butyl-1H-benzo[d]imidazol-2-yl)benzene amineTo a solution of 3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid 3.6 g (20 mmol) of step 4 in dimethylformamide 50 mL were added 4-tert-butylbenzen-1,2-diamine 3.3 g (20 mmol), diisopropylethylamine 7 mL (40 mmol) and O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 11 g (30 mmol), followed by stirring at room temperature for 3 hrs.The reaction mixture was diluted with ethylacetate, washed with a saturated sodium bicarbonate solution and a saturated NaCl solution, and dried over magnesium sulfate before being concentrated in a vacuum.The residue thus obtained was dissolved in acetic acid/toluene (45 mL/5 mL), stirred at 70° C. for 4 hrs, cooled to room temperature, and concentrated in a vacuum.The concentrate was dissolved in ethylacetate, washed with a saturated sodium bicarbonate solution and a saturated NaCl solution, and dried over magnesium sulfate before vacuum concentration.Purification by column chromatography (developing solvent: ethylacetate/hexane=1/1) gave 5.2 g of the title compound (yield 85percent).
  • 3
  • [ 1007875-95-7 ]
  • [ 68176-57-8 ]
  • [ 1191921-29-5 ]
YieldReaction ConditionsOperation in experiment
85% (Step 5) Preparation of 4-(5-tert-butyl-1H-benzo[d]imidazol-2-yl)benzene amine [114] To a solution of 3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid 3.6 g (20 mmol) of step 4 in dimethylformamide 50 mL were added 4-tert-butylbenzen-1,2-diamine 3.3 g (20 mmol), diisopropylethylamine 7 mL (40 mmol) and O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 11 g (30 mmol), followed by stirring at room temperature for 3 hrs. The reaction mixture was diluted with ethylacetate, washed with a saturated sodium bicarbonate solution and a saturated NaCl solution, and dried over magnesium sulfate before being concentrated in a vacuum. The residue thus obtained was dissolved in acetic acid/toluene (45 mL/5 mL), stirred at 70°C for 4 hrs, cooled to room temperature, and concentrated in a vacuum. The concentrate was dissolved in ethylacetate, washed with a saturated sodium bicarbonate solution and a saturated NaCl solution, and dried over magnesium sulfate before vacuum concentration. Purification by column chromatography (developing solvent: ethylacetate/hexane=1/1) gave 5.2 g of the title compound (yield 85percent).
 

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