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Hydrochloric Acid → 3-(5-(3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)isoindolin-2-yl)propanoic acid

HRID 1172980
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HRID 1172980 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([C:12]2[N:16]=[C:15]([C:17]3[CH:18]=[C:19]4[C:23](=[CH:24][CH:25]=3)[CH2:22][N:21]([CH2:26][CH2:27][C:28]([O:30]C)=[O:29])[CH2:20]4)[O:14][N:13]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH:9]([CH3:11])[CH3:10].[OH-].[Na+].Cl>C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]([C:12]2[N:16]=[C:15]([C:17]3[CH:18]=[C:19]4[C:23](=[CH:24][CH:25]=3)[CH2:22][N:21]([CH2:26][CH2:27][C:28]([OH:30])=[O:29])[CH2:20]4)[O:14][N:13]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH:9]([CH3:11])[CH3:10]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 59556616Methyl 3-(5-(3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)isoindolin-2-yl)propanoate

생성물 1

HCID 584045513-(5-(3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)isoindolin-2-yl)propanoic acid

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

To a solution of methyl 3-(5-(3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)isoindolin-2-yl)propanoate (21 mg, 0.048 mmol) in ethanol (1 ml) was added 2M aqueous NaOH (1 ml, 2.000 mmol). The reaction was stirred at room temperature under an atmosphere of nitrogen for approximately 4 hours. Reaction mixture was then acidified to a pH of I by addition of 2N HCl, at which time a precipitate formed. The solid was collected by filtration and washed with water (3×5 mL). The solid was then dried in a vacuum oven overnight to give 3-(5-(3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)isoindolin-2-yl)propanoic acid as the hydrochloride salt (10.2 mg, 46.2%). LCMS (Table 1, Method c) Rt=1.86 min, m/z 428.20 (M+H)+. 1H NMR (400 MHz, DMSO) δ ppm 12.12 (m, 1H), 8.23 (s, 1H), 8.19 (d, 1H), 8.07 (d, 1H), 8.01 (dd, 1H), 7.68 (d, 1H), 7.41 (d, 1H), 4.83 (sept, 1H), 4.72 (s, 4H), 3.58 (t, 2H), 2.84 (t, 2H), 1.36 (d, 6H)

후처리

  1. customReaction mixture
  2. customformed
  3. filtrationThe solid was collected by filtration
  4. washwashed with water (3×5 mL)
  5. customThe solid was then dried in a vacuum oven overnight

출처 및 근거

ORD 기록
ord-6a9176952f5443ca821bf172b41214e8
출처 데이터셋
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07834039B2

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