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

4-(Benzyloxy)-N-[5-cyano-2-(cyclohexylamino)phenyl]benzamide → 2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1H-benzimidazole-5-carbonitrile

HRID 392963
노트
인쇄 미리보기

반응식

HRID 392963 반응식
[CH2:1]([O:8][C:9]1[CH:32]=[CH:31][C:12]([C:13]([NH:15][C:16]2[CH:21]=[C:20]([C:22]#[N:23])[CH:19]=[CH:18][C:17]=2[NH:24][CH:25]2[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]2)=O)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>C(O)(=O)C>[CH2:1]([O:8][C:9]1[CH:32]=[CH:31][C:12]([C:13]2[N:24]([CH:25]3[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]3)[C:17]3[CH:18]=[CH:19][C:20]([C:22]#[N:23])=[CH:21][C:16]=3[N:15]=2)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

3

반응물 1

HCID 226608044-(Benzyloxy)-N-[5-cyano-2-(cyclohexylamino)phenyl]benzamide

생성물 1

HCID 226607902-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1H-benzimidazole-5-carbonitrile수율 90.3%

시약·촉매·용매 1

HCID 176Acetic Acid용매

실험 절차

A solution of compound 11 (2.08 g, 4.89 mmol) in acetic acid (15 mL) was refluxed for 4.5 h. The reaction mixture was cooled to rt and concentrated on a rotary evaporator. The residue was dissolved in ethyl acetate and washed with saturated NaHCO3 (2×) and water (1×). The organic layer was dried (MgSO4) and concentrated on a rotary evaporator. The residue was recrystallized from hexane/ethyl acetate to give compound 12 as a tan solid (1.8 g, 90%). ESI-MS m/e 408.3 (M+1).

후처리

  1. concentrationconcentrated on a rotary evaporator
  2. dissolutionThe residue was dissolved in ethyl acetate
  3. washwashed with saturated NaHCO3 (2×) and water (1×)
  4. dry with materialThe organic layer was dried (MgSO4)
  5. concentrationconcentrated on a rotary evaporator
  6. customThe residue was recrystallized from hexane/ethyl acetate

출처 및 근거

ORD 기록
ord-9fb2d8b3721448078a628c2c7bec5314
출처 데이터셋
uspto-grants-2004_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06803374B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트