Alternatived Products of [ 1099687-03-2 ]
Product Details of [ 1099687-03-2 ]
| CAS No. : | 1099687-03-2 |
MDL No. : | MFCD11651818 |
| Formula : |
C11H12BrNO3
|
Boiling Point : |
- |
| Linear Structure Formula : | - |
InChI Key : | FYELNCRQYNFNFO-UHFFFAOYSA-N |
| M.W : | 286.12 |
Pubchem ID : | 43364737 |
| Synonyms : |
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Safety of [ 1099687-03-2 ]
Application In Synthesis of [ 1099687-03-2 ]
* 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 [ 1099687-03-2 ]
- 1
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[ 110-91-8 ]
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[ 112704-79-7 ]
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[ 1099687-03-2 ]
| Yield | Reaction Conditions | Operation in experiment |
| 90% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 20h; Reflux; |
160.1
Step 1 : To a solution of 2-fluororo-4-bromobenzoic acid (1 g, 4.56 mmol) in DMF (6 mL) was added K2C03 (1.26 g, 9.13 mmol) followed by morpholine (0.47 g, 5.47 mmol) at rt and • -• 15 reaction was heated to reflux and stirred for 20 h at the same temperature. The reaction mixture was cooled to rt, and water (20 mL) was added and acidified with IN HC1 (5 mL). The reaction mixture was extracted with EtOAc and washed with water and brine solution. The organic layer was dried over anhydrous Na2S04 and concentrated under reduced pressure to obtain 4-bromo-2-(morpholin-4-yl)benzoic acid (700 mg, 90%, LC-MS 95%). |
| 90% |
With potassium carbonate In N,N-dimethyl-formamide for 20h; Reflux; |
160.1 Example 160
To a solution of 2-fluororo-4-bromobenzoic acid (1 g, 4.56 mmol) in DMF (6 mL) was added K2CO3 (1.26 g, 9.13 mmol) followed by morpholine (0.47 g, 5.47 mmol) at rt and reaction was heated to reflux and stirred for 20 h at the same temperature. The reaction mixture was cooled to rt, and water (20 mL) was added and acidified with IN HCl (5 mL). The reaction mixture was extracted with EtOAc and washed with water and brine solution. The organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure to obtain 4-bromo-2-(morpholin-4-yl)benzoic acid (700 mg, 90%, LC-MS 95%). |
- 2
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[ 110-91-8 ]
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[ 1099687-03-2 ]
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[ 1464157-41-2 ]
| Yield | Reaction Conditions | Operation in experiment |
| 600 mg |
Stage #1: 4-bromo-2-(morpholin-4-yl)benzoic acid With 4-methyl-morpholine; HATU In N,N-dimethyl-formamide at 20℃; for 0.5h;
Stage #2: morpholine In N,N-dimethyl-formamide at 20℃; for 16h; |
160.2
Step 2: To a solution of 4-bromo-2-morpholinobenzoic acid (700 mg, 2.46 mmol) in DMF (6 mL) was added NMM (0.49 g, 4.91 mmol) followed by HATU (1.39 g, 3.68 mmol) at rt and stirred for 30 min. Morpholine (0.25 g, 2.94 mmol) was added to the reaction mixture and stirring was continued at rt for 16 h. The reaction mixture was diluted with EtOAc and washed with water and brine solution. The organic layer was dried over anhydrous Na2S04 25 and concentrated under reduced pressure to obtain (4-bromo-2- morpholinophenyl)(morpholino)methanone (600 mg, LC-MS 86%). |
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Stage #1: 4-bromo-2-(morpholin-4-yl)benzoic acid With 4-methyl-morpholine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.5h;
Stage #2: morpholine In N,N-dimethyl-formamide at 20℃; for 16h; |
160.2 Example 160
To a solution of 4-bromo-2-morpholinobenzoic acid (700 mg, 2.46 mmol) in DMF (6 mL) was added NMM (0.49 g, 4.91 mmol) followed by HATU (1.39 g, 3.68 mmol) at rt and stirred for 30 min. Morpholine (0.25 g, 2.94 mmol) was added to the reaction mixture and stirring was continued at rt for 16 h. The reaction mixture was diluted with EtOAc and washed with water and brine solution. The organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure to obtain (4-bromo-2-morpholinophenyl)(morpholino)methanone (600 mg, LC-MS 86%). |
- 3
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[ 1099687-03-2 ]
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[ 1464152-00-8 ]
| Yield | Reaction Conditions | Operation in experiment |
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Multi-step reaction with 2 steps
1.1: 4-methyl-morpholine; HATU / N,N-dimethyl-formamide / 0.5 h / 20 °C
1.2: 16 h / 20 °C
2.1: tetrakis(triphenylphosphine) palladium(0); potassium phosphate / water; 1,4-dioxane / 16 h / 90 °C |
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Multi-step reaction with 2 steps
1.1: 4-methyl-morpholine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C
1.2: 16 h / 20 °C
2.1: tetrakis(triphenylphosphine) palladium(0); potassium phosphate / water; 1,4-dioxane / 16 h / 90 °C |
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