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

2-Methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one → 4-Methyl-2-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butoxy]-8H-pyrido[2,3-d]pyrimidin-7-one

HRID 1373628
노트
인쇄 미리보기

반응식

HRID 1373628 반응식
CS([C:5]1[N:6]=[C:7]([CH3:16])[C:8]2[CH:14]=[CH:13][C:12](=[O:15])[NH:11][C:9]=2[N:10]=1)(=O)=O.[C:17]1([N:27]2[CH2:32][CH2:31][N:30]([CH2:33][CH2:34][CH2:35][CH2:36][OH:37])[CH2:29][CH2:28]2)[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH:20]=[CH:19][CH:18]=1.CC(C)([O-])C.[Na+]>O1CCOCC1>[CH3:16][C:7]1[C:8]2[CH:14]=[CH:13][C:12](=[O:15])[NH:11][C:9]=2[N:10]=[C:5]([O:37][CH2:36][CH2:35][CH2:34][CH2:33][N:30]2[CH2:31][CH2:32][N:27]([C:17]3[C:26]4[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=4)[CH:20]=[CH:19][CH:18]=3)[CH2:28][CH2:29]2)[N:6]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 210732772-Methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-oneHCID 210733524-(4-Naphthalen-1-yl-piperazin-1-yl)-butan-1-olHCID 23676156Sodium t-butoxide

생성물 1

HCID 210734034-Methyl-2-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butoxy]-8H-pyrido[2,3-d]pyrimidin-7-one수율 38%

시약·촉매·용매 1

HCID 312751,4-Dioxane
용매

실험 절차

2-Methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (300 mg, 1.245 mmol, U.S. Pat. No. 6,498,163), 4-(4-naphthalen-1-yl-piperazin-1-yl)-butan-1-ol (392 mg, 1.379 mmol) and sodium t-butoxide (362 mg, 3.76 mmol) were combined in a vial. Dioxane (10 mL) was added and the solution was stirred for 1 h. The reaction mixture was concentrated and then partitioned between ethyl acetate and water. The organic layer was washed with water, dried over Na2SO4, filtered and concentrated. Purification by liquid chromatography (MPLC, gradient of 100% CH2Cl2 to 100% of 100:8:1 CH2Cl2:EtOH:NH4OH solution) gave the title compound as a solid (220 mg, 0.485 mmol, 38%). MS: APCI: M+1: 444.2 (Exact Mass: 443.23).

후처리

  1. concentrationThe reaction mixture was concentrated
  2. custompartitioned between ethyl acetate and water
  3. washThe organic layer was washed with water
  4. dry with materialdried over Na2SO4
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customPurification by liquid chromatography (MPLC, gradient of 100% CH2Cl2 to 100% of 100:8:1 CH2Cl2:EtOH:NH4OH solution)

출처 및 근거

ORD 기록
ord-60bef06f94414191a0abb0e9b3c28e37
출처 데이터셋
uspto-grants-2007_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07160888B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트