Hydrochloric Acid → 3-Benzyloxy-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

HRID 1453867노트

반응식

HRID 1453867 반응식
[CH2:1]([O:8][C:9]1[C:10]([C:20]([O:22]C)=[O:21])=[N:11][N:12]2[CH2:18][CH2:17][CH2:16][NH:15][C:14](=[O:19])[C:13]=12)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+].Cl>CO>[CH2:1]([O:8][C:9]1[C:10]([C:20]([OH:22])=[O:21])=[N:11][N:12]2[CH2:18][CH2:17][CH2:16][NH:15][C:14](=[O:19])[C:13]=12)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 14798Sodium Hydroxide2회HCID 68952653Methyl 3-benzyloxy-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate

생성물 1

HCID 689526853-Benzyloxy-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To a solution of methyl 3-benzyloxy-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate (50 mg, 0.159 mmol) in MeOH (2 mL) was added aqueous 1M NaOH (159 μL, 0.159 mmol). The reaction was stirred at room temperature for 4 hours, treated with additional aqueous 1N NaOH (159 μL, 0.159 mmol), and stirred at room temperature overnight. Aqueous 1N HCl (318 μL, 0.318 mmol) was added to the solution, and the solvents were removed in vacuo to afford the title product. 1H NMR (400 MHz, CD3OD) δ 7.39-7.36 (m, 2H), 7.32-7.28 (m, 3H), 5.24 (s, 3H), 4.38-4.34 (t, 2H), 2.90-2.86 (t, 2H), 2.13-2.06 (dt, 2H); ES MS (M+1)=302.

후처리

  1. stirringstirred at room temperature overnight
  2. customthe solvents were removed in vacuo

출처 및 근거

ORD 기록
ord-cb260ec7960746afadfbe1059bc3d7d3
출처 데이터셋
uspto-grants-2009_01
특허 번호
US07476666B2

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