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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Potassium Bromide → (R)-3-((S)-2-(4,4-Dimethyl-3-(4-(3-phenylureido)benzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-methylpropanal

HRID 1059830
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HRID 1059830 반응식
[CH3:1][C:2]1([CH3:39])[C:6](=[O:7])[N:5]([C@@H:8]([CH2:17][CH:18]([CH3:20])[CH3:19])[C:9]([NH:11][C@H:12]([CH3:16])[CH2:13][CH2:14][OH:15])=[O:10])[C:4](=[O:21])[N:3]1[CH2:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][C:30]([NH:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[O:31])=[CH:25][CH:24]=1.[Br-].[K+].CC(NC1CC(C)(C)N([O])C(C)(C)C1)=O.Cl[O-].[Na+].C(=O)([O-])O.[Na+]>C(OCC)(=O)C.C1(C)C=CC=CC=1.O>[CH3:39][C:2]1([CH3:1])[C:6](=[O:7])[N:5]([C@@H:8]([CH2:17][CH:18]([CH3:20])[CH3:19])[C:9]([NH:11][C@H:12]([CH3:16])[CH2:13][CH:14]=[O:15])=[O:10])[C:4](=[O:21])[N:3]1[CH2:22][C:23]1[CH:24]=[CH:25][C:26]([NH:29][C:30]([NH:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[O:31])=[CH:27][CH:28]=1
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참가 물질

9

반응물 5

HCID 253877Potassium BromideHCID 516892Sodium BicarbonateHCID 5189884-Acetamido-TEMPOHCID 23665760Sodium HypochloriteHCID 69940695(R)-3-((S)-2-(4,4-Dimethyl-3-(4-(3-phenylureido)-benzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-methylpropanol

생성물 1

HCID 59977126
(R)-3-((S)-2-(4,4-Dimethyl-3-(4-(3-phenylureido)benzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-methylpropanal

시약·촉매·용매 3

HCID 962Water용매2회HCID 1140Toluene용매HCID 8857Ethyl Acetate용매2회

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온도
0 °C

실험 절차

56.5 mg of (R)-3-((S)-2-(4,4-Dimethyl-3-(4-(3-phenylureido)-benzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-methylpropanol were dissolved in a mixture of 3 ml of ethyl acetate, 1 ml of toluene and 1 ml of water with 10.8 mg of potassium bromide. After addition of a catalytic amount of 4-acetamido-2,2,6,6-tetramethylpiperidine-1-oxyl (=4-acetamido-TEMPO), a mixture of 0.5 ml of sodium hypochlorite solution (13% strength), 0.5 ml of saturated sodium hydrogencarbonate solution and 1 ml of water was added dropwise at 0° C. The mixture was stirred at 0° C. for 25 minutes. After reaction was complete, the mixture was treated with ethyl acetate, and the organic phase was washed with sodium thiosulfate solution and dried over sodium sulfate. After filtration, the solvent was removed on a rotary evaporator and the residue was purified by reversed phase HPLC (water/acetonitrile). Yield: 15 mg.

후처리

  1. additionwas added dropwise at 0° C
  2. customAfter reaction
  3. washthe organic phase was washed with sodium thiosulfate solution
  4. dry with materialdried over sodium sulfate
  5. filtrationAfter filtration
  6. customthe solvent was removed on a rotary evaporator
  7. customthe residue was purified by reversed phase HPLC (water/acetonitrile)

출처 및 근거

ORD 기록
ord-b8dc9457b1d24b3e9d09b55f25041364
출처 데이터셋
uspto-grants-2003_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06521654B2

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