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1-N-methyl-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine → HCID 66576947, 화합물

HRID 1396201
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HRID 1396201 반응식
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[S:15]([N:18]([CH3:20])[CH3:19])(=[O:17])=[O:16])[C:5]([Cl:21])=[CH:4][N:3]=1.[CH3:22][N:23]([CH:31]1[CH2:36][CH2:35][N:34]([CH3:37])[CH2:33][CH2:32]1)[C:24]1[CH:29]=[CH:28][C:27]([NH2:30])=[CH:26][CH:25]=1>C(Cl)Cl.CO>[Cl:21][C:5]1[C:6]([NH:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[S:15]([N:18]([CH3:20])[CH3:19])(=[O:17])=[O:16])=[N:7][C:2]([NH:30][C:27]2[CH:26]=[CH:25][C:24]([N:23]([CH3:22])[CH:31]3[CH2:36][CH2:35][N:34]([CH3:37])[CH2:33][CH2:32]3)=[CH:29][CH:28]=2)=[N:3][CH:4]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 167952761-N-methyl-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamineHCID 467382872-(2,5-Dichloro-pyrimidin-4-ylamino)-N,N-dimethyl-benzenesulfonamide

생성물 1

HCID 66576947HCID 66576947, 화합물수율 34%

시약·촉매·용매 1

HCID 21226129Dichloromethane methanol용매

실험 절차

The title compound was prepared according to synthesis procedure B described above from 2-((2,5-dichloropyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide and N1-methyl-N1-(1-methylpiperidin-4-yl)benzene-1,4-diamine in 34% yield (yellow solid) after flash chromatography (CH2Cl2/CH3OH 99:1 gradually increasing to 95:5). 1H NMR (400 MHz, CDCl3): δ 9.45 (s, 1H), 8.60 (d, 1H, J=8.2 Hz), 8.06 (s, 1H), 8.18 (d, 1H, J=8.0 Hz), 7.47 (t, 1H, J=7.7 Hz), 7.31 (d, 2H, J=8.9 Hz), 7.16 (t, 1H, J=7.5 Hz), 6.77 (d, 2H, J=8.9 Hz), 3.51 (tt, 1H, J=11.3, 3.8 Hz), 3.00 (d, 2H, J=10.6 Hz), 2.76 (s, 3H), 2.72 (s, 3H), 2.34 (s, 3H), 2.11 (t, 2H, J=10.2 Hz), 1.90 (q, 2H, J=11.3 Hz), 1.73 (d, 2H, J=12.0 Hz); MS (ESI): 530.3 [M+H]+.

후처리

  1. customaccording to synthesis procedure B
  2. temperaturegradually increasing to 95:5)

출처 및 근거

ORD 기록
ord-b4d0b9b73bf84bd290414ed868db05af
출처 데이터셋
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08901120B2

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