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Trifluoroacetic acid → HCID 86732400, 화합물

HRID 517275
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HRID 517275 반응식
Br[CH2:2][C:3]([O:5]C(C)(C)C)=[O:4].[O:10]=[C:11]1[NH:20][CH:19]([C:21]2[CH:28]=[CH:27][C:24]([C:25]#[N:26])=[CH:23][C:22]=2[S:29]([CH3:32])(=[O:31])=[O:30])[C:18]2[C:17](=[O:33])[CH2:16][CH2:15][CH2:14][C:13]=2[N:12]1[C:34]1[CH:39]=[CH:38][CH:37]=[C:36]([C:40]([F:43])([F:42])[F:41])[CH:35]=1.C(=O)([O-])[O-].[Cs+].[Cs+].FC(F)(F)C(O)=O>CN(C)C=O.O>[C:25]([C:24]1[CH:27]=[CH:28][C:21]([CH:19]2[C:18]3[C:17](=[O:33])[CH2:16][CH2:15][CH2:14][C:13]=3[N:12]([C:34]3[CH:39]=[CH:38][CH:37]=[C:36]([C:40]([F:42])([F:43])[F:41])[CH:35]=3)[C:11](=[O:10])[N:20]2[CH2:2][C:3]([OH:5])=[O:4])=[C:22]([S:29]([CH3:32])(=[O:31])=[O:30])[CH:23]=1)#[N:26]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 6422Trifluoroacetic acidHCID 10796Cesium carbonateHCID 79177tert-Butyl bromoacetate2회HCID 867323284-(1-(3-(Trifluoromethyl)phenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinazolin-4-yl)-3-(methylsulfonyl)benzonitrile

생성물 1

HCID 86732400HCID 86732400, 화합물

시약·촉매·용매 2

HCID 962
Water
용매
HCID 6228Dimethylformamide용매

실험 절차

tert-Butyl bromoacetate (200 L, 1.35 mmol) is added to a mixture of 4-(2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4,5,6,7,8-octahydroquinazolin-4-yl)-3-(methylsulfonyl)benzonitrile (example 18, 440 mg, 0.90 mmol) and cesium carbonate (440 mg, 1.35 mmol) in N,N-dimethylformamide (5 mL), and the mixture is stirred at room temperature for 3 h. Another portion of tert-butyl bromoacetate (200 μL, 1.35 mmol) is added, and the mixture is stirred for 2 h. Water is added, and the mixture is extracted with ethyl acetate. The phases are separated and the organic layer is concentrated under reduced pressure. The residue is dissolved in acetonitrile (3 mL), and the mixture is treated with trifluoroacetic acid (10 mL, 123 mmol) and stirred at room temperature for 6 h. All volatiles are removed under reduced pressure, and the residue is directly used in the next step without further purification. Yield: 460 mg.

후처리

  1. stirringthe mixture is stirred for 2 h
  2. extractionthe mixture is extracted with ethyl acetate
  3. customThe phases are separated
  4. concentrationthe organic layer is concentrated under reduced pressure
  5. dissolutionThe residue is dissolved in acetonitrile (3 mL)
  6. stirringstirred at room temperature for 6 h
  7. customAll volatiles are removed under reduced pressure
  8. customthe residue is directly used in the next step without further purification

출처 및 근거

ORD 기록
ord-c9ab0f120b1b43be9c326979d821d688
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09115093B2

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