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Cyclopentylamine → N-{1-[2-(cyclopentylamino)ethyl]-1H-indazol-6-yl}-2-(4-phenoxyphenyl)acetamide

HRID 1790147
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HRID 1790147 반응식
O=[CH:2][CH2:3][N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([NH:13][C:14](=[O:29])[CH2:15][C:16]3[CH:21]=[CH:20][C:19]([O:22][C:23]4[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=4)=[CH:18][CH:17]=3)[CH:11]=2)[CH:6]=[N:5]1.[CH:30]1([NH2:35])[CH2:34][CH2:33][CH2:32][CH2:31]1.[BH3-]C#N.[Na+]>C1COCC1.C(OCC)(=O)C>[CH:30]1([NH:35][CH2:2][CH2:3][N:4]2[C:12]3[C:7](=[CH:8][CH:9]=[C:10]([NH:13][C:14](=[O:29])[CH2:15][C:16]4[CH:17]=[CH:18][C:19]([O:22][C:23]5[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=5)=[CH:20][CH:21]=4)[CH:11]=3)[CH:6]=[N:5]2)[CH2:34][CH2:33][CH2:32][CH2:31]1
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참가 물질

6

반응물 3

HCID 2906CyclopentylamineHCID 5003444Sodium cyanoborohydrideHCID 22036616N-[1-(2-oxoethyl)-1H-indazol-6-yl]-2-(4-phenoxyphenyl)acetamide

생성물 1

HCID 11751409N-{1-[2-(cyclopentylamino)ethyl]-1H-indazol-6-yl}-2-(4-phenoxyphenyl)acetamide

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매
HCID 8857
Ethyl Acetate
용매

실험 절차

A mixture of N-[1-(2-oxoethyl)-1H-indazol-6-yl]-2-(4-phenoxyphenyl)acetamide (20 mg, 0.05 mmol) and cyclopentylamine (10 μL, 0.10 mmol) in THF (1 mL) was stirred at room temperature for 0.5 hours after which NaCNBH3 (0.104 mL, 0.010 mmol, 1 M in THF) was added and the mixture was stirred for an additional 18 hours. The mixture was diluted with ethyl acetate (2 mL), washed with H2O (1 mL), concentrated under reduced pressure and purified by reverse phase-HPLC to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ ppm 1.5 (m, 6 H), 1.9 (m, 2 H), 2.9 (m, 1 H), 3.4 (m, 2 H), 3.8 (m, 2 H), 4.6 (t, 2 H), 7.0 (m, 4 H), 7.1 (m, 2 H), 7.4 (m, 4 H), 7.7 (m, 1 H), 8.05 (s, 1 H), 8.3 (s, 1 H), 8.6 (m, 1 H), and 10.4 (s, 1 H); MS (ESI) 455.2 (M+H)+.

후처리

  1. additionwas added
  2. washwashed with H2O (1 mL)
  3. concentrationconcentrated under reduced pressure
  4. custompurified by reverse phase-HPLC

출처 및 근거

ORD 기록
ord-5a48f10fdd91405e9f7c6f0d95002581
출처 데이터셋
uspto-grants-2006_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07071182B2

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