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[ CAS No. 887351-37-3 ]

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Chemical Structure| 887351-37-3
Chemical Structure| 887351-37-3
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Product Details of [ 887351-37-3 ]

CAS No. :887351-37-3 MDL No. :MFCD08448315
Formula : C9H9FN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :196.18 g/mol Pubchem ID :-
Synonyms :

Safety of [ 887351-37-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 887351-37-3 ]

  • Downstream synthetic route of [ 887351-37-3 ]

[ 887351-37-3 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 364-74-9 ]
  • [ 765-30-0 ]
  • [ 887351-37-3 ]
YieldReaction ConditionsOperation in experiment
86% With triethylamine; In N,N-dimethyl-formamide; at 20℃; l,4-difluoro-2-nitrobenzene 9-a (CAS 364-74-9) ( 15 g, 94.3 mmol) was dissolved in DMF (500 mL). Cyclopropyl amine (7 mL, 100 mmol) was added followed by triethylamine (30 mL, 217 mmol). The resulting mixture was stirred at room temperature overnight. The mixture was poured in water and extracted with dichlorom ethane dried over MgS04 and concentrated. The orange solid was purified by column chromatography using dichloromethane and methanol to yield intermediate 9-b (16 g, 86%) as an orange solid.m/z = 197 (M+H)+. 1H NMR (400 MHz, CHLOROFORM-<f) delta ppm 0.63 - 0.68 (m, 2 H), 0.88 - 0.95 (m, 2 H), 2.54 - 2.55 (m, 1 H), 7.27 - 7.34 (m, 2 H), 7.84 - 7.90 (m, 1 H), 7.93 - 8.02 (m, 1 H)
86% With triethylamine; In N,N-dimethyl-formamide; at 20℃; The l,4-difluoro-2-nitrobenzene 12-a (CAS 364-74-9) ( 15 g, 94.3 mmol) was dissolved in DMF (500 mL). Cyclopropyl amine (7 mL, 100 mmol) was added followed by triethylamine (30 mL, 217 mmol). The resulting mixture was stirred at room temperature overnight. The mixture was poured in water and extracted with dichlorom ethane dried over MgS04 and concentrated. The orange solid was purified by column chromatography using dichloromethane and methanol to yield the intermediate 12-b as an orange solid (16 g, 86%).m/z = 197 (M+H)+. 1H MR (400 MHz, CHLOROF ORM-<f) delta ppm 0.63 - 0.68 (m, 2 H), 0.88 - 0.95 (m, 2 H), 2.54 - 2.55 (m, 1 H), 7.27 - 7.34 (m, 2 H), 7.84 - 7.90 (m, 1 H), 7.93 - 8.02 (m, 1 H).
86% With triethylamine; In N,N-dimethyl-formamide; at 20℃; <strong>[364-74-9]1,4-difluoro-2-nitrobenzene</strong> 9-a (CAS 364-74-9) (15 g, 94.3 mmol) was dissolved in DMF (500 mL). Cyclopropyl amine (7 mL, 100 mmol) was added followed by triethylamine (30 mL, 217 mmol). The resulting mixture was stirred at room temperature overnight. The mixture was poured in water and extracted with dichloromethane dried over MgSO4 and concentrated. The orange solid was purified by column chromatography using dichloromethane and methanol to yield intermediate 9-b (16 g, 86%) as an orange solid. [0102] m/z=197 (M+H)+. 1H NMR (400 MHz, CHLOROFORM-d) delta ppm 0.63-0.68 (m, 2H), 0.88-0.95 (m, 2H), 2.54-2.55 (m, 1H), 7.27-7.34 (m, 2H), 7.84-7.90 (m, 1H), 7.93-8.02 (m, 1H)
With triethylamine; In N,N-dimethyl-formamide; at 18 - 22℃; To a stirred solution of <strong>[364-74-9]2,5-difluoronitrobenzene</strong> (50.0 g, 314.3 mmol) in DMF (1.7 L) is added cyclopropylamine (21.7 mL, 314.3 mmol) and TEA (73.0 g, 722.9 mmol). The resulting solution is stirred overnight at RT. The mixture is diluted with water and extracted with EtOAc. The organic layer is dried over sodium sulphate, filtered, concentrated under reduced pressure and purified by flash chromatography (5:95 EtOAc/Petroleum ether) to afford 9a.

  • 2
  • [ 887351-37-3 ]
  • [ 952906-02-4 ]
YieldReaction ConditionsOperation in experiment
94% With hydrogen In ethanol at 20℃; 1.2 Intermediate 9-b (16 g, 82 mmol) in ethanol (200 mL) was hydrogenated at room temperature with wet 10 % Pd/C as a catalyst overnight. After uptake of H2 (3 eq), the catalyst was filtered off and the filtrate was evaporated. The residue was washed with ethanol to afford the title compound 9-c (12.8 g, 94%) as a white solid, m/z = 167 (M+H)+.
94% With hydrogen In ethanol at 20℃; 1.12.2 Intermediate 12-b (16 g, 82 mmol) in ethanol (200 mL) was hydrogenated at room temperature with wet 10 % Pd/C as a catalyst overnight. After uptake of H2 (3 eq), the catalyst was filtered off and the filtrate was evaporated. The residue was washed with ethanol to afford the title compound 9-c as a white solid (12.8 g, 94%). m/z = 167 (M+H)+.
94% With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; 1.2 Step 2: Synthesis of N1-cyclopropyl-4-fluorobenzene-1,2-diamine 9-c Intermediate 9-b (16 g, 82 mmol) in ethanol (200 mL) was hydrogenated at room temperature with wet 10% Pd/C as a catalyst overnight. After uptake of H2 (3 eq), the catalyst was filtered off and the filtrate was evaporated. The residue was washed with ethanol to afford the title compound 9-c (12.8 g, 94%) as a white solid. m/z=167 (M+H)+.
With palladium 10% on activated carbon; hydrogen In ethanol for 16h; 9.2 A solution of 9a (50.0 g, 254.9 mmol) and 10% Pd/C (5.0 g, 4.7 mmol) in EtOH (1 .3 L) is stirred for 16 hours under a hydrogen atmosphere (50 psi). The reaction mixture is filtered through celite, concentrated and purified by flash chromatography to afford 9b.
With palladium on activated charcoal; hydrogen In methanol; ethyl acetate at 20℃;

  • 3
  • [ 887351-37-3 ]
  • [ 1383050-88-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: hydrogen / palladium 10% on activated carbon / ethanol / 20 °C 2: acetonitrile / 4 h / 0 - 20 °C
Multi-step reaction with 2 steps 1: hydrogen / palladium 10% on activated carbon / ethanol / 20 °C 2: acetonitrile / 4 h / 20 °C
Multi-step reaction with 2 steps 1: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C 2: acetonitrile / 4 h / 0 - 20 °C
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 16 h / 2585.81 Torr 2: tetrahydrofuran / 0 - 22 °C

  • 4
  • [ 887351-37-3 ]
  • C25H25FN4O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 16 h / 2585.81 Torr 2: tetrahydrofuran / 0 - 22 °C 3: caesium carbonate / N,N-dimethyl-formamide / 3 h / 18 - 22 °C
  • 5
  • [ 887351-37-3 ]
  • C23H23FN4O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 16 h / 2585.81 Torr 2: tetrahydrofuran / 0 - 22 °C 3: caesium carbonate / N,N-dimethyl-formamide / 3 h / 18 - 22 °C 4: sodium hydroxide / tetrahydrofuran; methanol; water / 2 h / 18 - 22 °C
  • 6
  • [ 887351-37-3 ]
  • C24H24BrFN4O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: palladium 10% on activated carbon; hydrogen / ethanol / 16 h / 2585.81 Torr 2.1: tetrahydrofuran / 0 - 22 °C 3.1: caesium carbonate / N,N-dimethyl-formamide; water / 0.17 h / 18 - 22 °C 3.2: 2 h / 18 - 22 °C
  • 7
  • [ 887351-37-3 ]
  • C24H24ClFN4O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 16 h / 2585.81 Torr 2: tetrahydrofuran / 0 - 22 °C 3: potassium hydroxide / water; N,N-dimethyl acetamide / 3 h / 18 - 22 °C
  • 9
  • [ 887351-37-3 ]
  • C18H15ClFN3O [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: hydrogen; palladium on activated charcoal / ethyl acetate; methanol / 20 °C / 750.08 Torr 2: methanol; dichloromethane / 60 °C 3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 20 °C
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