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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2-(Trifluoromethyl)benzylamine → 6-[[2-(Trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide

HRID 303
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HRID 303 반응식
NC(=O)c1ccc(Cl)nc1.NCc1ccccc1C(F)(F)F>CC(=O)O.CC(=O)O.CC(C)(C)[O-].COCCOC.[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>NC(=O)c1ccc(NCc2ccccc2C(F)(F)F)nc1
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참가 물질

7

반응물 2

HCID 764472-(Trifluoromethyl)benzylamineHCID 804566-Chloronicotinamide

생성물 1

HCID 789827346-[[2-(Trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide수율 1.45%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 634876Binap, (A+-)-촉매
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HCID 4144353
Palladium (II) acetate
촉매
HCID 80711,2-Dimethoxyethane용매

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온도
120 °C

실험 절차

To a stirred solution of 6-chloronicotinamide (0.053 g, 0.34 mmol), 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (0.021 g, 0.03 mmol), sodium 2-methylpropan-2-olate (0.065 g, 0.68 mmol) and diacetoxypalladium (7.60 mg, 0.03 mmol) in DME (1 mL) was added (2-(trifluoromethyl)phenyl)methanamine (0.095 mL, 0.68 mmol). The reaction mixture was subjected to microwave irradiation for 4h at 120 C. Only traces of product was observed. The crude product was dissolved in DMSO (2 mL) and purified using Fractionlynx I, (Xbridge Prep C18 5µm OBD 19x150 mm column), with 5 to 95% acetonitrile in 0.2% ammonia at pH 10. 6-(2-(trifluoromethyl)benzylamino)nicotinamide: 1.45 mg (1.5 %)

출처 및 근거

ORD 기록
ord-c7ac817750064edba47d3c6c786a7b69
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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