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CC(C1=CC=CC=C1C(F)(F)F)Br製品情報
1-(1-bromoethyl)-2-(trifluoromethyl)benzene (CAS 194152-29-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
想定用途
専門的研究・工業用途限定
データベース ID 2775621
安全上の注意
For professional research and industrial use only. Review the supplier safety data sheet before handling.
合成データ
12 反応 · 12 文献
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-38bfae9ff97c45139b76ca0643ca4ed6反応条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a mixture of 4-[4-(6-Amino-5-hydroxy-pyridin-3-yl)-benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester (50 mg, 0.12 mmol) and 1-(1-bromo-ethyl)-2-trifluoromethyl-benzene (32 mg, 0.12 mmol) in DMF (2 ml) was added 2 M Cs2CO3 (0.18 mL, 0.35 mmol), followed by water (0.5 mL), the mixture was stirred overnight then heated at 70° C. for 8 hr, LCMS showed that the reaction was completed. The DMF and water were removed. TFA (2 mL was added to the residue and stirred at room temperature for 3 hr. The TFA was removed, followed by addition of methanol. The residue was purified by prep-HPLC to afford (4-{6-amino-5-[1-(2-trifluoromethyl-phenyl)-ethoxy]-pyridin-3-yl}-phenyl)-(3,5-dimethyl-piperazin-1-yl)-methanone (20 mg, yield 34.2%). The DMF and water were removed TFA (2 mL was added to the residue stirred at room temperature for 3 hr The TFA was removed followed by addition of methanol The residue was purified by prep-HPLC
ソース ID: ord-170d98bb5efc423f9cb3541dd2623efa反応条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a mixture of 4-[4-(6-Amino-5-hydroxy-pyridin-3-yl)-benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester (50 mg, 0.12 mmol) and 1-(1-bromo-ethyl)-2-trifluoromethyl-benzene (32 mg, 0.12 mmol) in DMF (2 ml) was added 2 M Cs2CO3 (0.18 mL, 0.35 mmol), followed by water (0.5 mL), the mixture was stirred overnight then heated at 70° C. for 8 hr, LCMS showed that the reaction was completed. The DMF and water were removed. TFA (2 mL was added to the residue and stirred at room temperature for 3 hr. The TFA was removed, followed by addition of methanol. The residue was purified by prep-HPLC to afford (4-{6-amino-5-[1-(2-trifluoromethyl-phenyl)-ethoxy]-pyridin-3-yl}-phenyl)-(3,5-dimethyl-piperazin-1-yl)-methanone (20 mg, yield 34.2%). The DMF and water were removed TFA (2 mL was added to the residue stirred at room temperature for 3 hr The TFA was removed followed by addition of methanol The residue was purified by prep-HPLC
ソース ID: ord-170d98bb5efc423f9cb3541dd2623efa反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-38bfae9ff97c45139b76ca0643ca4ed6反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: In a similar manner as described for example B3, 8.0 g of an isomeric mixture of methyl 5-[6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3H-imidazo[4,5-c]pyridin-3-yl]-3-hydroxythiophene-2-carboxylate and methyl 5-[6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-1H-imidazo[4,5-c]pyridin-1-yl]-3-hydroxythiophene-2-carboxylate (example C3) and 3.15 g of K2CO3 and 5.95 g of 1-(1-bromoethyl)-2-(trifluoromethyl)benzene in 240 ml anhydrous N,N-dimethylformamide yield compound B25a and compound B25b. yield compound B25a
ソース ID: ord-d025a62bfec1478ca9652e63ff144685反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: In a similar manner as described for example B3, 8.0 g of an isomeric mixture of methyl 5-[6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3H-imidazo[4,5-c]pyridin-3-yl]-3-hydroxythiophene-2-carboxylate and methyl 5-[6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-1H-imidazo[4,5-c]pyridin-1-yl]-3-hydroxythiophene-2-carboxylate (example C3) and 3.15 g of K2CO3 and 5.95 g of 1-(1-bromoethyl)-2-(trifluoromethyl)benzene in 240 ml anhydrous N,N-dimethylformamide yield compound B25a and compound B25b. yield compound B25a
ソース ID: ord-d025a62bfec1478ca9652e63ff144685反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: In a similar manner as described for example B3, 300 mg of an isomeric mixture of methyl 3-hydroxy-5-(1H-imidazo[4,5-c]pyridin-1-yl)thiophene-2-carboxylate and methyl 3-hydroxy-5-(3H-imidazo[4,5-c]pyridin-3-yl)thiophene-2-carboxylate (example C1) and 181 mg K2CO3 and 332 mg 1-(1-bromoethyl)-2-(trifluoromethyl)benzene in 5 ml N,N-dimethylformamide yield methyl 5-(1H-imidazo[4,5-c]pyridin-1-yl)-3-{1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxylate and methyl 5-(3H-imidazo[4,5-c]pyridin-3-yl)-3-{1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxylate.
ソース ID: ord-3b2dafe5e03e409d88b8cddc573949b9反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: In a similar manner as described for example B3, 300 mg of an isomeric mixture of methyl 3-hydroxy-5-(1H-imidazo[4,5-c]pyridin-1-yl)thiophene-2-carboxylate and methyl 3-hydroxy-5-(3H-imidazo[4,5-c]pyridin-3-yl)thiophene-2-carboxylate (example C1) and 181 mg K2CO3 and 332 mg 1-(1-bromoethyl)-2-(trifluoromethyl)benzene in ml N,N-dimethylformamide yield methyl 5-(1H-imidazo[4,5-c]pyridin-1-yl)-3-{1-[2-(trifluoro-methyl)phenyl]ethoxy}thiophene-2-carboxylate and methyl 5-(3H-imidazo[4,5-c]pyridin-3-yl)-3-{1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxylate.
ソース ID: ord-7a0adca2d55d4b0da4cf6eb85b3e088e反応条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a mixture of 4-[4-(6-Amino-5-hydroxy-pyridin-3-yl)-benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester (50 mg, 0.12 mmol) and 1-(1-bromo-ethyl)-2-trifluoromethyl-benzene (32 mg, 0.12 mmol) in DMF (2 ml) was added 2 M Cs2CO3 (0.18 mL, 0.35 mmol), followed by water (0.5 mL), the mixture was stirred overnight then heated at 70° C. for 8 hr, LCMS showed that the reaction was completed. The DMF and water were removed. TFA (2 mL was added to the residue and stirred at room temperature for 3 hr. The TFA was removed, followed by addition of methanol. The residue was purified by prep-HPLC to afford (4-{6-amino-5-[1-(2-trifluoromethyl-phenyl)-ethoxy]-pyridin-3-yl}-phenyl)-(3,5-dimethyl-piperazin-1-yl)-methanone (20 mg, yield 34.2%). The DMF and water were removed TFA (2 mL was added to the residue stirred at room temperature for 3 hr The TFA was removed followed by addition of methanol The residue was purified by prep-HPLC
ソース ID: ord-a0cce42bd08b492c8f930c6cee54804c反応条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a mixture of 4-[4-(6-Amino-5-hydroxy-pyridin-3-yl)-benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester (50 mg, 0.12 mmol) and 1-(1-bromo-ethyl)-2-trifluoromethyl-benzene (32 mg, 0.12 mmol) in DMF (2 ml) was added 2 M Cs2CO3 (0.18 mL, 0.35 mmol), followed by water (0.5 mL), the mixture was stirred overnight then heated at 70° C. for 8 hr, LCMS showed that the reaction was completed. The DMF and water were removed. TFA (2 mL was added to the residue and stirred at room temperature for 3 hr. The TFA was removed, followed by addition of methanol. The residue was purified by prep-HPLC to afford (4-{6-amino-5-[1-(2-trifluoromethyl-phenyl)-ethoxy]-pyridin-3-yl)-phenyl)-(3,5-dimethyl-piperazin-1-yl)-methanone (20 mg, yield 34.2%). The DMF and water were removed TFA (2 mL was added to the residue stirred at room temperature for 3 hr The TFA was removed followed by addition of methanol The residue was purified by prep-HPLC
ソース ID: ord-feb66e94eaed4678b2a271ead551e945反応条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a mixture of 4-[4-(6-Amino-5-hydroxy-pyridin-3-yl)-benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester (50 mg, 0.12 mmol) and 1-(1-bromo-ethyl)-2-trifluoromethyl-benzene (32 mg, 0.12 mmol) in DMF (2 ml) was added 2 M Cs2CO3 (0.18 mL, 0.35 mmol), followed by water (0.5 mL), the mixture was stirred overnight then heated at 70° C. for 8 hr, LCMS showed that the reaction was completed. The DMF and water were removed. TFA (2 mL was added to the residue and stirred at room temperature for 3 hr. The TFA was removed, followed by addition of methanol. The residue was purified by prep-HPLC to afford (4-{6-amino-5-[1-(2-trifluoromethyl-phenyl)-ethoxy]-pyridin-3-yl}-phenyl)-(3,5-dimethyl-piperazin-1-yl)-methanone (20 mg, yield 34.2%). The DMF and water were removed TFA (2 mL was added to the residue stirred at room temperature for 3 hr The TFA was removed followed by addition of methanol The residue was purified by prep-HPLC
ソース ID: ord-b2e2b947821640c9adebf6ec11d272fd反応条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a mixture of 4-[4-(6-Amino-5-hydroxy-pyridin-3-yl)-benzoyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester (50 mg, 0.12 mmol) and 1-(1-bromo-ethyl)-2-trifluoromethyl-benzene (32 mg, 0.12 mmol) in DMF (2 ml) was added 2 M Cs2CO3 (0.18 mL, 0.35 mmol), followed by water (0.5 mL), the mixture was stirred overnight then heated at 70° C. for 8 hr, LCMS showed that the reaction was completed. The DMF and water were removed. TFA (2 mL was added to the residue and stirred at room temperature for 3 hr. The TFA was removed, followed by addition of methanol. The residue was purified by prep-HPLC to afford (4-{6-amino-5-[1-(2-trifluoromethyl-phenyl)-ethoxy]-pyridin-3-yl}-phenyl)-(3,5-dimethyl-piperazin-1-yl)-methanone (20 mg, yield 34.2%). The DMF and water were removed TFA (2 mL was added to the residue stirred at room temperature for 3 hr The TFA was removed followed by addition of methanol The residue was purified by prep-HPLC
ソース ID: ord-170d98bb5efc423f9cb3541dd2623efaPubChem References
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