Alpha-Cyano-4-Hydroxycinnamic Acid → HCID 178429058, 화합물

HRID 49731

반응식

HRID 49731 반응식
Cl.[CH3:2][C:3]1[CH:4]=[C:5]([O:18][S:19]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[S:28]([N:31]([CH2:39][CH2:40][C:41]([O:43]CC)=[O:42])[CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)(=[O:30])=[O:29])(=[O:21])=[O:20])[CH:6]=[C:7]([CH:17]=1)[O:8][CH2:9][CH2:10][CH2:11][O:12][NH:13][C:14]([NH2:16])=[NH:15].C(C(=CC1C=CC(O)=CC=1)C(O)=O)#N>>[CH3:2][C:3]1[CH:4]=[C:5]([O:18][S:19]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[S:28]([N:31]([CH2:39][CH2:40][C:41]([OH:43])=[O:42])[CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)(=[O:29])=[O:30])(=[O:20])=[O:21])[CH:6]=[C:7]([CH:17]=1)[O:8][CH2:9][CH2:10][CH2:11][O:12][NH:13][C:14]([NH2:16])=[NH:15]

참가 물질

3

반응물 2

HCID 2102Alpha-Cyano-4-Hydroxycinnamic AcidHCID 178471982HCID 178471982, 화합물

생성물 1

HCID 178429058HCID 178429058, 화합물수율 97%

실험 절차

The title compound was prepared in 97% yield from 3-[5-methyl-3-(2-(N-(2-ethoxycarbonylethyl)-N-benzylaminosulfonyl)phenylsulfonyloxy)phenoxy]propoxyguanidine hydrochloride as prepared in step b of Example 53, in a manner analogous to Example 27. 1H-NMR (300 MHz, DMSO-d6) δ 8.19 (t, J=7.9 Hz, 2H), 7.99 (t, J=7.7 Hz, 1H), 7.88 (t, J=7.8 Hz, 1H), 7.56 (br s, 4H), 7.34 (m, 5H), 6.74 (s, 1H), 6.54 (s, 1H), 6.51 (s, 1H), 4.63 (s, 2H), 3.97 (t, J=6.2 Hz, 2H), 3.89 (t, J=6.1 Hz, 2H), 3.51 (t, J=7.4 Hz, 2H), 2.28 (t, J=7.5 Hz, 4H), 2.22 (s, 3H), 1.99 (pentet, J=6.1 Hz, 2H). Mass spectrum (MALDI-TOF, α-cyano-4-hydroxycinnamic acid matrix) calcd. for C27H32N4O9S2: 621.2 (M+H), 643.2 (M+Na). Found: 621.0, 642.9.

후처리

  1. customas prepared in step b of Example 53, in a manner analogous to Example 27

출처 및 근거

ORD 기록
ord-1c69c0d960d7405eb84cb01032daa61d
출처 데이터셋
uspto-grants-2004_03
특허 번호
US06706765B2

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