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

Toluene → Ammonium Hydroxide

HRID 1068183
노트
인쇄 미리보기

반응식

HRID 1068183 반응식
C[O:2]C1C=CC(C[O:8][C:9](=[O:49])[C@H:10]([N:17]2[CH2:21][C@H:20]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[C@@H:19]([CH2:28][N:29]3[CH2:34][CH2:33][CH:32]([N:35]4[C:39](=[O:40])[C:38]([CH2:41][C:42]5[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=5)=[C:37]([CH3:48])[NH:36]4)[CH2:31][CH2:30]3)[CH2:18]2)[CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]2)=CC=1.C1(C)C=CC=CC=1>C(O)=O>[OH-:2].[NH4+:17].[CH2:41]([C:38]1[C:39](=[O:40])[N:35]([CH:32]2[CH2:31][CH2:30][N:29]([CH2:28][C@@H:19]3[C@@H:20]([C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=4)[CH2:21][N:17]([C@H:10]([CH:11]4[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]4)[C:9]([OH:49])=[O:8])[CH2:18]3)[CH2:34][CH2:33]2)[NH:36][C:37]=1[CH3:48])[C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 1140TolueneHCID 70124577alpha-(R)-(3-(S)-((4-(4-benzyl-5-methyl-1H-pyrazol-3(2H)-on-2-yl)-piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-cyclohexaneacetic acid 4-methoxybenzyl ester

생성물 2

HCID 14923Ammonium HydroxideHCID 20664139alpha-(R)-(3-(S)-((4-(4-benzyl-5-methyl-1H-pyrazol-3(2H)-on-2-yl)-piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-cyclohexaneacetic acid

시약·촉매·용매 1

HCID 284Formic Acid용매

실험 절차

The material from Step C was dissolved in ˜2 ml of 96% formic acid and stirred at room temperature for 3 hours. Toluene (10 mL) was then added and the mixture concentrated under reduced pressure. The residue was chromatographed on silica gel (10 mL column). Elution with 5% methanol in dichloromethane (100 mL) followed by 90:10:1 dichloromethane:methanol:ammonium hydroxide gave 0.028 g of α-(R)-(3-(S)-((4-(4-benzyl-5-methyl- 1H-pyrazol-3(2H)-on-2-yl)- piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-cyclohexaneacetic acid ESI-MS 571.4 (M+H); HPLC A: 2.61 min.

후처리

  1. concentrationthe mixture concentrated under reduced pressure
  2. customThe residue was chromatographed on silica gel (10 mL column)
  3. washElution with 5% methanol in dichloromethane (100 mL)

출처 및 근거

ORD 기록
ord-1d3dd34ae8964f6cbb8fa2a334464e32
출처 데이터셋
uspto-grants-2001_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06248755B1

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트