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

Acetic Acid → HCID 69115453, 화합물

HRID 2054169
노트
인쇄 미리보기

반응식

HRID 2054169 반응식
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[O:10])=[CH:4][C:3]=1[CH:19]1[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]1.[CH3:25][O:26][C:27]1[CH:32]=[CH:31][C:30]([S:33][C:34]2[CH:41]=[CH:40][C:37]([CH:38]=O)=[CH:36][CH:35]=2)=[CH:29][CH:28]=1.ClC(Cl)C.C(O)(=O)C.[Na].C([O-])(O)=O.[Na+]>C1CCCCC1.CCOC(C)=O.C(Cl)Cl>[CH3:25][O:26][C:27]1[CH:28]=[CH:29][C:30]([S:33][C:34]2[CH:41]=[CH:40][C:37]([CH2:38][N:22]3[CH2:21][CH2:20][CH:19]([C:3]4[CH:4]=[C:5]([NH:8][C:9]([O:11][CH2:12][C:13]5[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=5)=[O:10])[CH:6]=[CH:7][C:2]=4[CH3:1])[CH2:24][CH2:23]3)=[CH:36][CH:35]=2)=[CH:31][CH:32]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 6

HCID 176Acetic AcidHCID 63651,1-DichloroethaneHCID 516892Sodium BicarbonateHCID 5360545SodiumHCID 157278344-[(4-Methoxyphenyl)thio]benzaldehydeHCID 69115392HCID 69115392, 화합물

생성물 1

HCID 69115453
HCID 69115453, 화합물
수율 88%

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 21867204Cyclohexane ethylacetate용매

실험 절차

A mixture of N-(4-methyl-3-(4-piperidyl)phenyl)(phenylmethoxy)carboxamide (324 mg, 1.00 mmol) and 4-(4-methoxyphenylthio)benzaldehyde (244 mg, 1.00 mmol), dichloroethane (5.00 mL), acetic acid (60.0 mg, 1.00 mmol) and sodium triacetoxborohydride (424 mg, 2.00 mmol) was stirred under nitrogen at room temperature for 18 h. Saturated NaHCO3 solution and CH2Cl2 was added. The mixture was separated, and the organic layer was washed with water (10 mL), dried over Na2SO4 and concentrated in vacuo. Purification by flash column chromatography (eluent: cyclohexane:EtOAc (85:15 then 7:3)) gave N-[3-(1-{[4-(4-methoxyphenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl](phenylmethoxy) carboxamide (486 mg, 88.0% yield) as a white foam. ESMS m/e: 553.2 (M+H)+.

후처리

  1. customThe mixture was separated
  2. washthe organic layer was washed with water (10 mL)
  3. dry with materialdried over Na2SO4
  4. concentrationconcentrated in vacuo
  5. customPurification by flash column chromatography (eluent

출처 및 근거

ORD 기록
ord-f288dc568a8749ba9ed8d6eff8cc85e6
출처 데이터셋
uspto-grants-2008_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07329656B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트