Alpha-Cyano-4-Hydroxycinnamic Acid → HCID 178437118, 화합물

HRID 49728

반응식

HRID 49728 반응식
[ClH:1].Cl.[CH3:3][C:4]1[CH:5]=[C:6]([O:19][S:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[S:29]([N:32](CC)[CH2:33][C:34]2[CH:39]=[CH:38][N:37]=[CH:36][CH:35]=2)(=[O:31])=[O:30])(=[O:22])=[O:21])[CH:7]=[C:8]([CH:18]=1)[O:9][CH2:10][CH2:11][CH2:12][O:13][NH:14][C:15]([NH2:17])=[NH:16].[C:42]([C:44](=CC1C=CC(O)=CC=1)C(O)=O)#N>>[ClH:1].[ClH:1].[CH3:3][C:4]1[CH:5]=[C:6]([O:19][S:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[S:29]([NH:32][CH2:33][C:34]2[C:35]([CH2:42][CH3:44])=[CH:36][N:37]=[CH:38][CH:39]=2)(=[O:30])=[O:31])(=[O:21])=[O:22])[CH:7]=[C:8]([CH:18]=1)[O:9][CH2:10][CH2:11][CH2:12][O:13][NH:14][C:15]([NH2:17])=[NH:16]

참가 물질

3

반응물 2

HCID 2102Alpha-Cyano-4-Hydroxycinnamic AcidHCID 178463730HCID 178463730, 화합물

생성물 1

HCID 178437118HCID 178437118, 화합물수율 84%

실험 절차

{3-[5-Methyl-3-(2-(N-ethyl-N-(4-pyridylmethyl)aminosulfonyl)phenylsulfonyloxy) phenoxy]propoxy}guanidine dihydrochloride: The title compound was prepared in 84% yield from N,N′-(Bis-tert-butyloxycarbonyl)-{3-[5-methyl-3-(2-(N-ethyl-N-(4-pyridylmethyl)aminosulfonyl)phenylsulfonyloxy) phenoxy]propoxy}guanidine, as prepared in the preceding step, in a manner analogous to step i of Example 20. 1H-NMR (300 MHz, DMSO-d6) δ 8.54 (d, J=4.5 Hz, 2H), 8.23 (d, J=7.9 Hz, 1H), 8.17 (d, J=7.8 Hz, 1H), 8.01 (t, J=7.7 Hz, 1H), 7.89 (t, J=7.7 Hz, 1H), 7.42 (br s, 4H), 7.34 (d, J=5.8 Hz, 2H), 6.74 (s, 1H), 6.54 (s, 1H), 6.50 (s, 1H), 4.67 (s, 2H), 3.97 (t, J=6.3 Hz, 2H), 3.87 (t, J=6.3 Hz, 2H), 3.36 (t, J=7.1 Hz, 2H), 2.21 (s, 3H), 2.00 (pentet, J=6.1 Hz, 2H), 0.92 (t, J=7.1 Hz, 3H). Mass spectrum (MALDI-TOF, α-cyano-4-hydroxycinnamic acid matrix) calcd. for C25H31N5O7S2: 578.2 (M+H), 600.2 (M+Na), 616.1 (M+K). Found: 578.1, 599.9, 616.0.

후처리

  1. customas prepared in the preceding step, in a manner analogous to step i of Example 20

출처 및 근거

ORD 기록
ord-163d0025fd0d4cf598c8b485e47e6668
출처 데이터셋
uspto-grants-2004_03
특허 번호
US06706765B2

연결된 노트

불러오는 중…