홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

1,2-Dichloroethane → HCID 178521725, 화합물

HRID 1047555
노트
인쇄 미리보기

반응식

HRID 1047555 반응식
[F:1][C:2]1([F:8])[CH2:4][CH:3]1[C:5](O)=[O:6].C1C=CC2N(O)N=NC=2C=1.C(Cl)CCl.C(=O)(O)[O-].[Na+].[O:28]1[CH2:33][CH2:32][N:31]([CH2:34][C:35]2[CH:36]=[CH:37][C:38]3[N:42]=[C:41]([C:43]4[C:51]5[C:46](=[CH:47][CH:48]=[C:49]([NH2:52])[CH:50]=5)[N:45]([CH:53]5[CH2:58][CH2:57][CH2:56][CH2:55][O:54]5)[N:44]=4)[NH:40][C:39]=3[CH:59]=2)[CH2:30][CH2:29]1>CN(C=O)C>[F:1][C:2]1([F:8])[CH2:4][CH:3]1[C:5]([NH:52][C:49]1[CH:50]=[C:51]2[C:46](=[CH:47][CH:48]=1)[N:45]([CH:53]1[CH2:58][CH2:57][CH2:56][CH2:55][O:54]1)[N:44]=[C:43]2[C:41]1[NH:42][C:38]2[CH:37]=[CH:36][C:35]([CH2:34][N:31]3[CH2:32][CH2:33][O:28][CH2:29][CH2:30]3)=[CH:59][C:39]=2[N:40]=1)=[O:6]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 111,2-DichloroethaneHCID 757711-HydroxybenzotriazoleHCID 516892Sodium BicarbonateHCID 27828232,2-Difluorocyclopropane-1-carboxylic acidHCID 1363522593-(6-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine

생성물 1

HCID 178521725HCID 178521725, 화합물
수율 81%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

2,2-Difluorocyclopropane carboxylic acid (3 mg, 0.024 mmol), HOBt (5 mg, 0.037 mmol), EDC (6.6 mg, 0.035 mmol) and sodium bicarbonate (2 mg, 0.024 mmol) were added to a solution of 3-(6-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine (10 mg, 0.023 mmol) in DMF (5 mL). The reaction mixture was stirred at room temperature for 24 h, and then the solvent was removed in vacuo. Purification by flash chromatography (6% CH3OH/CH2Cl2) yielded the title compound (10 mg) as a solid. 1H NMR: (400 MHz, CD3OD): δ 8.62 (s, 1H), 7.75-7.66 (m, 4H), 7.34 (d, 1H, J=8.0 Hz), 5.94 (dd, 1H, J=2.8 and 9.6 Hz), 4.01 (m, 3H), 3.85 (m, 1H), 3.77 (m, 4H), 2.81 (m, 4H), 2.68 (m, 1H), 2.18-2.10 (m, 3H), 1.91-1.83 (m, 3H), 1.71 (m, 2H); ESI-MS [M+H]+: 537.2.

후처리

  1. customthe solvent was removed in vacuo
  2. customPurification by flash chromatography (6% CH3OH/CH2Cl2)

출처 및 근거

ORD 기록
ord-2f9e6299d09b4f4b910cfe2e145577e9
출처 데이터셋
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08569511B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트