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Sodium Chloride → (RS)-S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)amino]pyrimidin-2-yl}amino)phenyl]-S-methyl Sulfoximide

HRID 1891053
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HRID 1891053 반응식
[Br:1][C:2]1[C:3]([NH:24][C@H:25]([CH3:30])[C:26]([OH:29])([CH3:28])[CH3:27])=[N:4][C:5]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([S:15]([CH3:23])(=[N:17]C(OCC)=O)=[O:16])=[CH:11][CH:10]=2)=[N:6][CH:7]=1.CC[O-].[Na+].[Na+].[Cl-]>C(O)C>[Br:1][C:2]1[C:3]([NH:24][C@H:25]([CH3:30])[C:26]([OH:29])([CH3:27])[CH3:28])=[N:4][C:5]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([S:15]([CH3:23])(=[NH:17])=[O:16])=[CH:11][CH:10]=2)=[N:6][CH:7]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 5234Sodium ChlorideHCID 2723922Sodium ethoxideHCID 59674007(RS)-S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)amino]pyrimidin-2-yl}amino)phenyl]-N-(ethoxycarbonyl)-S-methyl Sulfoximide

생성물 1

HCID 59674034(RS)-S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)amino]pyrimidin-2-yl}amino)phenyl]-S-methyl Sulfoximide

시약·촉매·용매 1

HCID 702
Ethanol
용매
2회

실험 절차

1.65 g (3.30 mmol) of (RS)—S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)amino]pyrimidin-2-yl}amino)phenyl]-N-(ethoxycarbonyl)-S-methyl sulfoximide in 6.5 ml of ethanol is mixed with 19.1 ml (6.69 mmol) of a 0.35 molar solution of NaOEt in ethanol and stirred under reflux for 5 hours. The batch is stirred overnight at room temperature and then added to a saturated NaCl solution. It is extracted with ethyl acetate, and the combined organic phases are dried (Na2SO4), filtered and concentrated by evaporation. The remaining residue is purified by chromatography (DCM/EtOH 9:1). 0.95 g (2.22 mmol, corresponding to 67% of theory) of the product is obtained.

후처리

  1. temperatureunder reflux for 5 hours
  2. stirringThe batch is stirred overnight at room temperature
  3. extractionIt is extracted with ethyl acetate
  4. dry with materialthe combined organic phases are dried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated by evaporation
  7. customThe remaining residue is purified by chromatography (DCM/EtOH 9:1)
  8. custom0.95 g (2.22 mmol, corresponding to 67% of theory) of the product is obtained

출처 및 근거

ORD 기록
ord-2a5180f2d1fa4253934cf870fe261aea
출처 데이터셋
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08507510B2

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