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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
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HRID 131 반응식
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
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참가 물질

7

반응물 2

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

생성물 1

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

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 634876
Binap, (A+-)-
촉매
HCID 6505921(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium촉매
HCID 7809P-Xylene용매

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온도
100 °C

실험 절차

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.

출처 및 근거

ORD 기록
ord-65b9230d98a54611a7b2ba04f46f98c7
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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