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Water → HCID 90416605, 화합물

HRID 576174
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HRID 576174 반응식
[CH2:1]([O:3][C:4](=[O:20])[C:5]([CH3:19])([CH3:18])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([NH2:13])=[CH:9][C:8]=1[C:14]([F:17])([F:16])[F:15])[CH3:2].[Br:21][C:22]1[CH:27]=[CH:26][C:25]([CH2:28][C:29](O)=[O:30])=[C:24]([F:32])[CH:23]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.O>C(Cl)Cl>[Br:21][C:22]1[CH:27]=[CH:26][C:25]([CH2:28][C:29]([NH:13][C:10]2[CH:11]=[CH:12][C:7]([CH2:6][C:5]([CH3:19])([CH3:18])[C:4]([O:3][CH2:1][CH3:2])=[O:20])=[C:8]([C:14]([F:15])([F:17])[F:16])[CH:9]=2)=[O:30])=[C:24]([F:32])[CH:23]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 140537922-(4-Bromo-2-fluorophenyl)acetic acidHCID 90416545HCID 90416545, 화합물

생성물 1

HCID 90416605HCID 90416605, 화합물수율 83%

시약·촉매·용매 1

HCID 6344
Dichloromethane
용매
2회

실험 절차

Ethyl-3-(4-amino-2-(trifluoromethyl)phenyl)-2,2-dimethylpropanoate (200 mg, 0.691 mmol) was added to a solution of 2-(4-bromo-2-fluorophenyl)acetic acid (161 mg, 0.691 mmol), HATU (315 mg, 0.830 mmol) and TEA (0.482 mL, 3.46 mmol) in DCM (5 mL). The reaction mixture was stirred at rt for 2 h, and then the solution was distributed between DCM and H2O. The combined organic extract was dried over MgSO4, filtered and concentrated. The crude product was purified by preparative TLC (DCM, Rf=0.5) to yield a light yellow oil of ethyl 3-(4-(2-(4-bromo-2-fluorophenyl)acetamido)-2-(trifluoromethyl)phenyl)-2,2-dimethylpropanoate (320 mg, 0.571 mmol, 83.0% yield): 1H NMR (400 MHz, MeOH-d4) δ 7.94 (d, J=1.54 Hz, 1H), 7.68 (d, J=8.38 Hz, 1H), 7.27-7.36 (m, 2H), 7.22 (d, J=8.38 Hz, 1H), 6.90-6.97 (m, 1H), 4.09-4.18 (m, 2H), 3.74 (s, 2H), 3.07 (s, 2H), 1.20-1.25 (m, 3H), 1.15 (s, 6H); ES-LCMS m/z 504 (M+H).

후처리

  1. extractionThe combined organic extract
  2. dry with materialwas dried over MgSO4
  3. filtrationfiltered
  4. concentrationconcentrated
  5. customThe crude product was purified by preparative TLC (DCM, Rf=0.5)

출처 및 근거

ORD 기록
ord-046001c8c31f40bb8734e13a666b7060
출처 데이터셋
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09035063B2

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