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Sodium borohydride → 5-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide

HRID 624114
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반응식

HRID 624114 반응식
[Cl-].[Ca+2].[Cl-].[CH2:4]([NH:7][C:8]([C:10]1[CH:15]=[CH:14][C:13]([NH:16][C:17]([N:19]2[CH2:27][C:26]3[C:21](=[CH:22][CH:23]=[C:24]([C:28](OC)=[O:29])[CH:25]=3)[CH2:20]2)=[O:18])=[CH:12][CH:11]=1)=[O:9])[CH2:5][CH3:6].[BH4-].[Na+]>C(O)C.O1CCCC1>[OH:29][CH2:28][C:24]1[CH:25]=[C:26]2[C:21](=[CH:22][CH:23]=1)[CH2:20][N:19]([C:17]([NH:16][C:13]1[CH:14]=[CH:15][C:10]([C:8](=[O:9])[NH:7][CH2:4][CH2:5][CH3:6])=[CH:11][CH:12]=1)=[O:18])[CH2:27]2
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참가 물질

6

반응물 3

HCID 4311764Sodium borohydrideHCID 5284359Calcium ChlorideHCID 57509896Methyl 2-(4-(propylcarbamoyl)phenylcarbamoyl)isoindoline-5-carboxylate

생성물 1

HCID 575098995-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide

시약·촉매·용매 2

HCID 702Ethanol용매
HCID 8028
Tetrahydrofuran
용매

실험 절차

A solution of calcium chloride (0.031 g, 0.277 mmol) in ethanol (0.8 mL) was added to a suspension of methyl 2-(4-(propylcarbamoyl)phenylcarbamoyl)isoindoline-5-carboxylate (0.04 g, 0.105 mmol) in tetrahydrofuran (1 mL). Sodium borohydride (0.02 g, 0.524 mmol) was then added in one portion and the suspension stirred at room temperature. After 18 hours, the mixture was concentrated to remove tetrahydrofuran then saturated aqueous sodium bicarbonate and water was added. The suspension was filtered and the solid was flash chromatographed to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ ppm 8.55 (s, 1H), 8.25 (t, J=5.6 Hz, 1H), 7.74-7.78 (m, 2H), 7.64-7.67 (m, 2H), 7.31 (d, J=4.0 Hz, 1H), 7.30 (d, J=2.3 Hz, 1H), 7.26 (d, J=8.0 Hz, 1H), 5.19 (t, J=5.6 Hz, 1H), 4.71-4.78 (m, 4H), 4.52 (d, J=5.4 Hz, 2H), 3.15-3.25 (m, 2H), 1.46-1.59 (m, 2H), 0.89 (t, J=7.4 Hz, 3H); MS (ESI(+)) m/e 354 (M+H)+.

후처리

  1. concentrationthe mixture was concentrated
  2. customto remove tetrahydrofuran
  3. additionsaturated aqueous sodium bicarbonate and water was added
  4. filtrationThe suspension was filtered
  5. customchromatographed

출처 및 근거

ORD 기록
ord-4b6585854be04b9f9f01941a411933f4
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09302989B2

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