Trifluoroacetic acid → HCID 11177225, 화합물

HRID 1172572

반응식

HRID 1172572 반응식
C(O)(C(F)(F)F)=O.[CH:8]12[CH2:14][CH:11]([NH:12][CH2:13]1)[CH2:10][N:9]2[C:15]1[N:20]=[C:19]([NH2:21])[N:18]2[N:22]=[C:23]([C:25]3[O:26][CH:27]=[CH:28][CH:29]=3)[N:24]=[C:17]2[CH:16]=1.Cl[CH2:31][C:32]1[C:33]([CH3:38])=[N:34][O:35][C:36]=1[CH3:37].CCN(CC)CC>CC#N>[CH3:38][C:33]1[C:32]([CH2:31][N:12]2[CH2:13][CH:8]3[CH2:14][CH:11]2[CH2:10][N:9]3[C:15]2[N:20]=[C:19]([NH2:21])[N:18]3[N:22]=[C:23]([C:25]4[O:26][CH:27]=[CH:28][CH:29]=4)[N:24]=[C:17]3[CH:16]=2)=[C:36]([CH3:37])[O:35][N:34]=1

참가 물질

6

반응물 4

HCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 88246Isoxazole, 4-(chloromethyl)-3,5-dimethyl-HCID 686862367-(2,5-Diaza-bicyclo[2.2.1]hept-2-yl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine

생성물 1

HCID 11177225HCID 11177225, 화합물

시약·촉매·용매 1

HCID 6342Acetonitrile용매

실험 절차

The TFA salt of 7-(2,5-diaza-bicyclo[2.2.1]hept-2-yl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine (0.3 mmol; see Example 18 above) was dissolved in 3 mL of CH3CN along with 0.3 mmol of 4-chloromethyl-3,5-dimethyl-isoxazole (Aldrich-Sigma, St. Louis, Mo.) and 0.5 mmol of Et3N. The reaction mixture was stirred at room temperature for 18 hours. It was then concentrated and purified by preparative HPLC to afford the title compound. 1H NMR (400 Hz, DMSO-d6) δ 7.80 (d, J=1.0 Hz, 1H), 7.00 (d, J=3.6 Hz, 1H), 6.60 (dd, J=3.6, 1.0 Hz, 1H), 5.7 (s, 1H), 4.80 (brs, 2H), 2.4-3.6 (m, 14H). MS m/z: 407 [M+H]+.

후처리

  1. concentrationIt was then concentrated
  2. custompurified by preparative HPLC

출처 및 근거

ORD 기록
ord-ff1540c77f164a4ebdad0305a39bbe0a
출처 데이터셋
uspto-grants-2010_11
특허 번호
US07834014B2

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