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Potassium Carbonate → HCID 178509723, 화합물

HRID 474770
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HRID 474770 반응식
F[C:2]1[CH:9]=[CH:8][C:7]([CH2:10][CH2:11][C:12]2[NH:13][CH:14]=[C:15]([CH2:19][C:20]3[CH:21]=[N:22][CH:23]=[N:24][CH:25]=3)[C:16](=[O:18])[N:17]=2)=[CH:6][C:3]=1[C:4]#[N:5].[Cl:26][C:27]1[CH:32]=[CH:31][C:30]([OH:33])=[CH:29][C:28]=1[C:34]([F:37])([F:36])[F:35].C([O-])([O-])=O.[K+].[K+]>CN1C(=O)CCC1>[Cl:26][C:27]1[CH:32]=[CH:31][C:30]([O:33][C:2]2[CH:9]=[CH:8][C:7]([CH2:10][CH2:11][C:12]3[NH:13][CH:14]=[C:15]([CH2:19][C:20]4[CH:21]=[N:22][CH:23]=[N:24][CH:25]=4)[C:16](=[O:18])[N:17]=3)=[CH:6][C:3]=2[C:4]#[N:5])=[CH:29][C:28]=1[C:34]([F:35])([F:36])[F:37]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 11430Potassium CarbonateHCID 805204-Chloro-3-(trifluoromethyl)phenolHCID 1785097222-Fluoro-5-(2-(4-oxo-5-(pyrimidin-5-ylmethyl)-1,4-dihydropyrimidin-2-yl)ethyl)benzonitrile

생성물 1

HCID 178509723HCID 178509723, 화합물수율 15.3%

시약·촉매·용매 1

HCID 13387N-methyl-2-pyrrolidone용매

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온도
150 °C

실험 절차

A mixture of 2-fluoro-5-(2-(4-oxo-5-(pyrimidin-5-ylmethyl)-1,4-dihydropyrimidin-2-yl)ethyl)benzonitrile (1.0 g, 2.68 mmol), 4-chloro-3-(trifluoromethyl)phenol (0.633 g, 3.22 mmol) and K2CO3 (0.556 g, 4.03 mmol) in NMP (5 mL) was heated with a microwave reactor at 150° C. for 1.5 h. Purification via MDAP then afforded the title compound as a white solid (210 mg, 15% yield). LCMS: rt=1.65 min, [M+H+]=512

후처리

  1. customPurification via MDAP

출처 및 근거

ORD 기록
ord-0ef09a0fe970448a8bb06a5073c76ba1
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08637536B2

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