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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Water → 2-(((3aR,4S,6R,6aS)-6-(7-(((1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)oxy)ethanol

HRID 1773445
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HRID 1773445 반응식
Cl[C:2]1[C:3]2[N:14]=[N:13][N:12]([C@H:15]3[C@@H:19]4[O:20][C:21]([CH3:24])([CH3:23])[O:22][C@@H:18]4[C@@H:17]([O:25][CH2:26][CH2:27][OH:28])[CH2:16]3)[C:4]=2[N:5]=[C:6]([S:8][CH2:9][CH2:10][CH3:11])[N:7]=1.[F:29][C:30]1[CH:31]=[C:32]([C@@H:37]2[CH2:39][C@H:38]2[NH2:40])[CH:33]=[CH:34][C:35]=1[F:36].C(N(CC)C(C)C)(C)C.O>ClCCl>[F:29][C:30]1[CH:31]=[C:32]([C@@H:37]2[CH2:39][C@H:38]2[NH:40][C:2]2[C:3]3[N:14]=[N:13][N:12]([C@H:15]4[C@@H:19]5[O:20][C:21]([CH3:24])([CH3:23])[O:22][C@@H:18]5[C@@H:17]([O:25][CH2:26][CH2:27][OH:28])[CH2:16]4)[C:4]=3[N:5]=[C:6]([S:8][CH2:9][CH2:10][CH3:11])[N:7]=2)[CH:33]=[CH:34][C:35]=1[F:36]
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 81531DiisopropylethylamineHCID 9834068(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamineHCID 210357742-(((3aR,4S,6R,6aS)-6-(7-Chloro-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)oxy)ethanol

생성물 1

HCID 67289290
2-(((3aR,4S,6R,6aS)-6-(7-(((1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)oxy)ethanol
수율 93%

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

A solution of 2-((3aR,4S,6R,6aS)-6-(7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol (370 mg, 0.86 mmol, 1.00 equiv) (15 mL), (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (145.6 mg, 0.86 mmol, 1.00 equiv.) and N,N-diisopropylethylamine (155.7 mg, 1.21 mmol, 1.20 equiv.) in dichloromethane was stirred at ambient temperature for about 16 hours, and then water (10 mL) was added. Standard extractive workup with dichloromethane (3×10 mL) gave the title product as a yellow oil (450 mg; yield=93%). m/z=563 (MH)+.

출처 및 근거

ORD 기록
ord-4b451dd1cd3a420d82a7851a307a52bd
출처 데이터셋
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09255104B2

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