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4-(3-Methoxyphenoxy)piperidine hydrochloride → 6-[4-(3-Methoxyphenoxy)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

HRID 131
ノート
印刷プレビュー

反応式

HRID 131 の反応式
COc1cccc(OC2CCNCC2)c1.Cl.FC(F)(F)c1nnc2ccc(Br)cn12>CC(C)(C)[O-].Cc1ccc(C)cc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>COc1cccc(OC2CCN(c3ccc4nnc(C(F)(F)F)n4c3)CC2)c1
参加物反応条件実験手順出典と根拠反応ノート

参加物

7

反応物 2

HCID 177497954-(3-Methoxyphenoxy)piperidine hydrochlorideHCID 581189066-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine

生成物 1

HCID 591496836-[4-(3-Methoxyphenoxy)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine収率 30.51%

試薬・触媒・溶媒 4

HCID 23676156Sodium t-butoxide試薬HCID 634876
Binap, (A+-)-
触媒
HCID 6505921(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium触媒
HCID 7809P-Xylene溶媒

反応条件

温度
100 °C

実験手順

6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (100 mg, 0.38 mmol), 4-(3-methoxyphenoxy)piperidine hydrochloride (110 mg, 0.45 mmol), rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (17.56 mg, 0.03 mmol) and Sodium tert-butoxide (0.161 mL, 1.32 mmol) were suspended in xylenes (5 mL), then de-gassed and purged with nitrogen. Bis(dibenzylideneacetone)palladium (10.81 mg, 0.02 mmol) was added, and the mixture was sealed into a microwave tube. The reaction was heated to 100 °C for 20 minutes in the microwave reactor and cooled to RT. The reaction mixture was diluted with EtOAc (25 mL), and washed with water (25 mL). The organic layer was purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 7M NH3/MeOH and pure fractions were evaporated to dryness to afford crude product. The crude product was purified by preparative HPLC (Waters XBridge Prep C18 OBD column, 5µ silica, 19 mm diameter, 100 mm length), using decreasingly polar mixtures of water (containing 1% NH3) and MeCN as eluents. Fractions containing the desired compound were evaporated to dryness to afford 6-(4-(3-methoxyphenoxy)piperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (45.0 mg, 30.5 %) as a white solid.

出典と根拠

ORDレコード
ord-65b9230d98a54611a7b2ba04f46f98c7
出典データセット
750 AstraZeneca ELN dataset
元リンク
出典を表示

反応ノート

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