4-Fluoro-3-methoxybenzoic acid → HCID 178492677, 화합물

HRID 518651노트

반응식

HRID 518651 반응식
[CH:1]([NH:4][C:5]([C@@H:7]1[CH2:12][CH2:11][C@H:10]([N:13]2[C:21]3[CH:20]=[C:19]([O:22][CH2:23][CH2:24][N:25]4[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]4)[N:18]=[CH:17][C:16]=3[NH:15]/[C:14]/2=[N:31]\C(C2C=CC3C=CSC=3C=2)=O)[CH2:9][CH2:8]1)=[O:6])([CH3:3])[CH3:2].[F:43][C:44]1[CH:52]=[CH:51][C:47]([C:48]([OH:50])=O)=[CH:46][C:45]=1[O:53][CH3:54]>>[F:43][C:44]1[CH:52]=[CH:51][C:47]([C:48](/[N:31]=[C:14]2/[N:13]([C@H:10]3[CH2:9][CH2:8][C@@H:7]([C:5](=[O:6])[NH:4][CH:1]([CH3:2])[CH3:3])[CH2:12][CH2:11]3)[C:21]3[CH:20]=[C:19]([O:22][CH2:23][CH2:24][N:25]4[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]4)[N:18]=[CH:17][C:16]=3[NH:15]/2)=[O:50])=[CH:46][C:45]=1[O:53][CH3:54]

참가 물질

3

반응물 2

HCID 5984364-Fluoro-3-methoxybenzoic acidHCID 178457785HCID 178457785, 화합물

생성물 1

HCID 178492677HCID 178492677, 화합물수율 43.1%

실험 절차

The title compound was prepared using a method analogous to the preparation of (E)-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)benzo[b]thiophene-6-carboxamide, using 4-fluoro-3-methoxybenzoic acid. The material was purified via preparative HPLC (0.1% NH4OH in ACN/H2O) to provide (E)-4-fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)-3-methoxybenzamide (43.1% yield). MS m/z=581.4 [M+H], calc 580.69 for C31H41FN6O4.

후처리

  1. customThe title compound was prepared
  2. customThe material was purified via preparative HPLC (0.1% NH4OH in ACN/H2O)

출처 및 근거

ORD 기록
ord-1cd8824358a24f069795d3b9fddbc56c
출처 데이터셋
uspto-grants-2015_08
특허 번호
US09115127B2

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