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Acetonitrile → HCID 5280190, 화합물

HRID 1443881
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HRID 1443881 반응식
[C:1]([N:9]1[CH2:14][CH2:13][N:12]([C:15](=[O:36])[C:16]([C:18]2[C:26]3[C:21](=[C:22]([CH:29]4[CH:33]=[CH:32][C:31](=[C:34]=[O:35])[O:30]4)[N:23]=[CH:24][C:25]=3[O:27][CH3:28])[NH:20][CH:19]=2)=[O:17])[CH2:11][CH2:10]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[O-:37]Cl=O.[Na+].CC#N>O>[C:1]([N:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:36])[C:16]([C:18]2[C:26]3[C:21](=[C:22]([C:29]4[O:30][C:31]([C:34]([OH:37])=[O:35])=[CH:32][CH:33]=4)[N:23]=[CH:24][C:25]=3[O:27][CH3:28])[NH:20][CH:19]=2)=[O:17])[CH2:13][CH2:14]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6342AcetonitrileHCID 23668197Sodium ChloriteHCID 87288404HCID 87288404, 화합물

생성물 1

HCID 5280190HCID 5280190, 화합물수율 25.5%

시약·촉매·용매 1

HCID 962Water용매

실험 절차

A mixture of the compound of Example 85 (19 mg), NaClO2 (9.2 mg) in a mixed solution of CH3CN (3 mL) and water (0.5 mL) was stirred at room temperature for 24 hours. After the reaction was quenched by 1N NaOH solution (1 ml), the mixture was extracted with diethyl ether (3×10 mL). The aqueous phase was acidified with 1N HCl to give a yellow solid precipitate (5 mg) which was the product shown. MS m/z: (M+H)+ Calc'd for C26H23N6O7: 503.16; found 503.19. HPLC retention time: 1.37 minutes (column A).

후처리

  1. customAfter the reaction was quenched by 1N NaOH solution (1 ml)
  2. extractionthe mixture was extracted with diethyl ether (3×10 mL)

출처 및 근거

ORD 기록
ord-ba9a6ae96caf4b56a988042bb9f70c16
출처 데이터셋
uspto-grants-2010_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07662823B2

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