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

tert-butyl N-[(3S)-piperidin-3-yl]carbamate → (S)-3-(3-Aminopiperidin-1-yl)-1-methyl-5-(6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrazin-2(1H)-one

HRID 57958
노트
인쇄 미리보기

반응식

HRID 57958 반응식
[NH:1]1[CH2:6][CH2:5][CH2:4][C@H:3]([NH:7]C(=O)OC(C)(C)C)[CH2:2]1.Br[C:16]1[C:17](=[O:24])[N:18]([CH3:23])[CH:19]=[C:20](Br)[N:21]=1.Cl[C:26]1[N:31]=[CH:30][C:29]2[CH:32]=[N:33][NH:34][C:28]=2[CH:27]=1.[CH3:35][N:36]1[CH:40]=[C:39](B2OC(C)(C)C(C)(C)O2)[CH:38]=[N:37]1>>[NH2:7][C@H:3]1[CH2:4][CH2:5][CH2:6][N:1]([C:16]2[C:17](=[O:24])[N:18]([CH3:23])[CH:19]=[C:20]([N:34]3[C:28]4[CH:27]=[C:26]([C:39]5[CH:38]=[N:37][N:36]([CH3:35])[CH:40]=5)[N:31]=[CH:30][C:29]=4[CH:32]=[N:33]3)[N:21]=2)[CH2:2]1
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1514171tert-butyl N-[(3S)-piperidin-3-yl]carbamateHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 130629693,5-Dibromo-1-methyl-1H-pyrazin-2-oneHCID 569321096-Chloro-1H-pyrazolo(4,3-c)pyridine

생성물 1

HCID 72714672(S)-3-(3-Aminopiperidin-1-yl)-1-methyl-5-(6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrazin-2(1H)-one
수율 18.1%

실험 절차

Following the procedures as described in Example 124 and starting with (5)-tert-butyl piperidin-3-ylcarbamate, 3,5-dibromo-1-methylpyrazin-2(1H)-one, 6-chloro-1H-pyrazolo[4,3-c]pyridine, and 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 242 was obtained as a yellow solid (60 mg, 18.1%) over four steps. 1H NMR (500 MHz, DMSO-d6) δ (ppm) 9.09 (s, 1H), 8.45 (s, 1H), 8.37 (s, 1H), 8.32 (s, 1H), 8.00 (s, 1H), 7.64 (s, 1H), 4.59-4.72 (m, 2H), 3.91 (s, 3H), 3.51 (s, 3H), 2.98-3.04 (m, 1H), 2.83-2.92 (m, 1H), 2.80-2.81 (m, 1H), 1.92-1.94 (m, 1H), 1.78-1.79 (m, 1H), 1.61-1.62 (m, 1H), 1.28-1.34 (m, 1H); MS (ESI) m/z: 406 (M+H)+.

출처 및 근거

ORD 기록
ord-c3f03effd1724d189d779ce62cc48d73
출처 데이터셋
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09434725B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차출처 및 근거반응 노트