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Hydrochloric Acid → (RS)-S-(4-{[4-{[(1 R,2R)-2-Hydroxy-1-methylpropyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-S-methylsulfoximide

HRID 1027859
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HRID 1027859 반응식
Cl.[NH2:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([CH3:18])(=[N:11]C(=O)C(F)(F)F)=[O:10])=[CH:5][CH:4]=1.Cl[C:20]1[N:25]=[C:24]([NH:26][C@H:27]([CH3:31])[C@H:28]([OH:30])[CH3:29])[C:23]([C:32]([F:35])([F:34])[F:33])=[CH:22][N:21]=1.C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1.C(#N)C.[Cl-].[Na+].CO>[OH:30][C@H:28]([CH3:29])[C@H:27]([NH:26][C:24]1[C:23]([C:32]([F:35])([F:34])[F:33])=[CH:22][N:21]=[C:20]([NH:2][C:3]2[CH:4]=[CH:5][C:6]([S:9]([CH3:18])(=[NH:11])=[O:10])=[CH:7][CH:8]=2)[N:25]=1)[CH3:31]
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참가 물질

9

반응물 4

HCID 313Hydrochloric AcidHCID 11430Potassium CarbonateHCID 58533493(RS)-S-(4-Aminophenyl)-S-methyl-N-(trifluoroacetyl)sulfoximideHCID 59683169(2R,3R)-3-(2-Chloro-5-trifluoromethylpyrimidin-4-ylamino)butan-2-ol

생성물 1

HCID 45381084(RS)-S-(4-{[4-{[(1 R,2R)-2-Hydroxy-1-methylpropyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-S-methylsulfoximide
수율 93.3%

시약·촉매·용매 4

HCID 887Methanol용매HCID 5234Sodium Chloride용매HCID 6342Acetonitrile용매HCID 312751,4-Dioxane용매

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온도
60 °C

실험 절차

0.38 ml of 4N solution of hydrogen chloride in dioxane was added to 399 mg (1.50 mmol) of (RS)-S-(4-aminophenyl)-S-methyl-N-(trifluoroacetyl)sulfoximide and 404 mg (1.50 mmol) of (2R,3R)-3-(2-chloro-5-trifluoromethyl-pyrimidin-4-ylamino)-butan-2-ol in 7.3 ml acetonitrile and stirred for 9 hours at 60° C. The mixture was evaporated to dryness. 32.2 ml methanol and 1040 mg (7.50 mmol) of potassium carbonate were added and it was stirred for 1.5 hours at room temperature. It was diluted with saturated sodium chloride solution and was extracted with ethyl acetate (3×). The combined organic phases were dried (Na2SO4), filtered and concentrated by evaporation. 565 mg (1.40 mmol) of the raw product was obtained.

후처리

  1. customThe mixture was evaporated to dryness
  2. stirringit was stirred for 1.5 hours at room temperature
  3. extractionwas extracted with ethyl acetate (3×)
  4. dry with materialThe combined organic phases were dried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated by evaporation

출처 및 근거

ORD 기록
ord-5fae2db7220c44d89dace81b648f3ad5
출처 데이터셋
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08735412B2

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