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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Triethylamine → 2-[2-fluoro-4-(2-{(1S,2R)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl}ethoxy)phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone

HRID 1474695
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HRID 1474695 반응식
[F:1][C:2]1[CH:7]=[C:6]([O:8][CH2:9][CH2:10][C@@H:11]2[CH2:13][C@@H:12]2[CH:14]2[CH2:19][CH2:18][N:17]([C:20]3[N:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][N:21]=3)[CH2:16][CH2:15]2)[CH:5]=[CH:4][C:3]=1[CH2:28][C:29](O)=[O:30].O.ON1C2C=CC=CC=2N=N1.Cl.[OH:44][CH:45]1[CH2:48][NH:47][CH2:46]1.Cl.C(/N=N/CCCN(C)C)C.C(N(CC)CC)C>C(Cl)Cl.CCOC(C)=O>[F:1][C:2]1[CH:7]=[C:6]([O:8][CH2:9][CH2:10][C@@H:11]2[CH2:13][C@@H:12]2[CH:14]2[CH2:15][CH2:16][N:17]([C:20]3[N:21]=[CH:22][C:23]([O:26][CH3:27])=[CH:24][N:25]=3)[CH2:18][CH2:19]2)[CH:5]=[CH:4][C:3]=1[CH2:28][C:29]([N:47]1[CH2:48][CH:45]([OH:44])[CH2:46]1)=[O:30]
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참가 물질

8

반응물 5

HCID 8471TriethylamineHCID 27592903-Hydroxyazetidine hydrochlorideHCID 27960291-Hydroxybenzotriazole hydrateHCID 89583872[2-fluoro-4-(2-{(1S,2R)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl}ethoxy)phenyl]acetic acidHCID 178465607HCID 178465607, 화합물

생성물 1

HCID 89583861
2-[2-fluoro-4-(2-{(1S,2R)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl}ethoxy)phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 8857Ethyl Acetate용매

실험 절차

[2-Fluoro-4-(2-{(1S,2R)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl}ethoxy)phenyl]acetic acid (80 mg, 0.186 mmol), 1-hydroxybenzotriazole hydrate (42.8 mg, 0.279 mmol), 3-hydroxyazetidine hydrochloride (30.6 mg, 0.279 mmol) and (E)-3-(ethyldiazenyl)-N,N-dimethylpropan-1-amine hydrochloride (50.2 mg, 0.279 mmol) were dissolved in CH2Cl2 (4 ml). The mixture was stirred at RT for 5 min. and triethylamine (0.078 ml, 0.556 mmol) was added. The mixture was stirred at RT overnight and loaded directly on Preparative TLC that was developed with pure EtOAc. The desired product (Rf=0.35 @ pure EtOAc) was collected to give the title compound. 1H NMR (500 MHz, CDCl3) δ 8.1 (s, 2H), 7.21 (m, 1H), 6.65 (m, 2H), 4.60 (m, 3H), 4.30 (m, 2H), 4.05 (m, 3H), 3.90 (m, 1H), 3.80 (s, 3H), 3.72 (s, broad, 1H), 3.41 (s, 2H), 2.83 (m, 2H), 2.15 (m, 1H), 2.05 (s, broad, 1H), 1.92 (m, 2H), 1.55 (m, 1H), 1.40 (m, 2H), 0.95 (m, 2H), 0.68 (m, 2H), −0.40 (m, 1H). LC/MS (m/z): 485 (M+H)+. GPR119 Human EC50: 2.1 nM.

후처리

  1. stirringThe mixture was stirred at RT overnight
  2. customThe desired product (Rf=0.35 @ pure EtOAc) was collected

출처 및 근거

ORD 기록
ord-ab43a2e2c3b0445ea933ba05e1851f8d
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09018224B2

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