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

2-Methoxyethanol → N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-N-(2-methoxyethyl)ethanesulfonamide

HRID 930953
노트
인쇄 미리보기

반응식

HRID 930953 반응식
C(P(CCCC)CCCC)CCC.[CH3:14][O:15][CH2:16][CH2:17]O.O1CCCC1.[F:24][C:25]1[CH:54]=[C:53]([F:55])[CH:52]=[CH:51][C:26]=1[O:27][C:28]1[CH:33]=[CH:32][C:31]([NH:34][S:35]([CH2:38][CH3:39])(=[O:37])=[O:36])=[CH:30][C:29]=1[C:40]1[C:41]2[CH:50]=[CH:49][NH:48][C:42]=2[C:43](=[O:47])[N:44]([CH3:46])[CH:45]=1>C1(C)C=CC=CC=1>[F:24][C:25]1[CH:54]=[C:53]([F:55])[CH:52]=[CH:51][C:26]=1[O:27][C:28]1[CH:33]=[CH:32][C:31]([N:34]([CH2:17][CH2:16][O:15][CH3:14])[S:35]([CH2:38][CH3:39])(=[O:37])=[O:36])=[CH:30][C:29]=1[C:40]1[C:41]2[CH:50]=[CH:49][NH:48][C:42]=2[C:43](=[O:47])[N:44]([CH3:46])[CH:45]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 80192-MethoxyethanolHCID 8028TetrahydrofuranHCID 13831TributylphosphineHCID 71600087Mivebresib

생성물 1

HCID 71616058N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-N-(2-methoxyethyl)ethanesulfonamide수율 4.24%

시약·촉매·용매 1

HCID 1140
Toluene
용매
2회

실험 절차

To a 4 mL vial was added (azidocarbonyl) dipiperidine (ADDP) (25.9 mg, 0.102 mmol) in anhydrous toluene. The vial was introduced into a dry box and tributylphosphine (41.5 mg, 3 eq, 0.205 mmol) was added to the vial. This mixture was shaken until the solution turned clear. To this solution was added a solution of 2-methoxyethanol in anhydrous tetrahydrofuran (1.2 equivalents, 0.082 mmol, 6.24 mg). This mixture was stirred for 10 minutes at ambient temperature. To this mixture was added a solution of Example 36e (0.068 mmol, 31.4 mg) in anhydrous toluene/anhydrous tetrahydrofuran (1:1 v/v) (1 mL). The reaction mixture was stirred at room temperature overnight in the dry box. The reaction mixture was concentrated to dryness and the residue purified by reverse phase HPLC (C18, 10-100% acetonitrile in 0.1% TFA/water) to provide the title compound (4.24%, 1.5 mg). 1H NMR (400 MHz, DMSO d6/D2O) δ ppm 7.49 (d, J=2.75 Hz, 1H), 7.38-7.43 (m, 1H), 7.37 (d, J=2.75 Hz, 1H), 7.35-7.36 (m, 1H), 7.34 (d, J=2.75 Hz, 1H), 7.22-7.27 (m, 1H), 7.05-7.11 (m, 1H), 6.87 (d, J=8.54 Hz, 1H), 6.30 (d, J=2.75 Hz, 1H), 3.78-3.81 (m, 2H), 3.57 (s, 3H), 3.37 (t, J=5.65 Hz, 2H), 3.20 (s, 3H), 3.16 (t, J=7.32 Hz, 2H), 1.26 (t, J=7.48 Hz, 3H). ESI+ m/z=518.0 (M+H)+.

후처리

  1. additionThe vial was introduced into a dry box
  2. stirringThis mixture was stirred for 10 minutes at ambient temperature
  3. stirringThe reaction mixture was stirred at room temperature overnight in the dry box
  4. concentrationThe reaction mixture was concentrated to dryness
  5. customthe residue purified by reverse phase HPLC (C18, 10-100% acetonitrile in 0.1% TFA/water)

출처 및 근거

ORD 기록
ord-ed6bbfdc51244f648aba175e8c01327f
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09296741B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트