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

Triethylamine → 2-(benzylamino)-N-methyl-4-(4-benzoylpiperazin-1-yl)benzamide

HRID 1966459
노트
인쇄 미리보기

반응식

HRID 1966459 반응식
[CH2:1]([NH:8][C:9]1[CH:17]=[C:16]([N:18]2[CH2:23][CH2:22][N:21]([C:24](=[O:31])[C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[CH2:20][CH2:19]2)[CH:15]=[CH:14][C:10]=1[C:11]([OH:13])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CN.C1COCC1.[CH2:39]([N:41](CC)CC)C.C1(P(N=[N+]=[N-])(C2C=CC=CC=2)=O)C=CC=CC=1>C1COCC1>[CH2:1]([NH:8][C:9]1[CH:17]=[C:16]([N:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:31])[C:25]3[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=3)[CH2:22][CH2:23]2)[CH:15]=[CH:14][C:10]=1[C:11]([NH:41][CH3:39])=[O:13])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 8471TriethylamineHCID 199401P,P-Diphenylphosphinic azideHCID 584256602-(Benzylamino)-4-(4-benzoylpiperazin-1-yl)benzoic acidHCID 66615946Methylamine tetrahydrofuran

생성물 1

HCID 671818862-(benzylamino)-N-methyl-4-(4-benzoylpiperazin-1-yl)benzamide수율 36%

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

실험 절차

A solution of 2-(benzylamino)-4-(4-benzoylpiperazin-1-yl)benzoic acid (80 mg, 0.2 mmol), 2 M methylamine THF solution (0.96 ml, 1.9 mmol), triethylamine (0.08 ml, 0.57 mmol) and diphenylphosphoryl azide (0.045 ml, 0.2 mmol) in 15 ml THF was stirred for 16 hours. The run was quenched with 1 ml water and all the solvents were evaporated under vacuum. 2-(benzylamino)-N-methyl-4-(4-benzoylpiperazin-1-yl)benzamide (30 mg, 36%) was obtained by flash column chromatograph (60% ethyl acetate in hexanes). 1H NMR (500 MHz, CDCl3) δ (ppm) 2.97 (d, 3H), 3.14-3.25 (d, br, 4H), 3.65 (s, br, 2H), 3.72 (s, br, 2H), 4.42 (d, 2H), 6.01 (d, J=2.3 Hz, 2H), 6.15 (dd, J=2.3, 8.7 Hz, 1H), 7.26-7.49 (m, 10H), 8.52 (s, 1H). 13C NMR (125 MHz, CDCl3): δ (ppm) 26.9, 47.8, 48.9, 98.3, 103.4, 107.5, 127.5, 127.6, 129.0, 129.1 130.4, 136.0, 139.7, 151.6, 154.3, 170.6, 170.9.

후처리

  1. customThe run was quenched with 1 ml water and all the solvents
  2. customwere evaporated under vacuum

출처 및 근거

ORD 기록
ord-b6a417b14e064bf998c826e6e45fc795
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08420640B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트