HRID340055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10081508

tert-Butyl (2S)-2-methylpiperazine-1-carboxylate

C10H20N2O2

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3cnc(Cl)cn3)C4)n[nH]c2c1

HCID178436919

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3cnc(N5CCN[C@@H](C)C5)cn3)C4)n[nH]c2c1

HCID178436931

未命名化合物

收率 25.8%

PROCEDURE

实验过程

The title compound was prepared from (5-chloropyrazin-2-yl)(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methanone (200 mg, 386 μmol) and (S)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester (155 mg, 773 μmol) using the method from Example 61. After purification by HPLC Method E and deprotection using HCl/dioxan, the title compound (58 mg, 25% yield over two steps) was obtained as off-white solid (HCl-salt).

WORKUP

后处理

customAfter purification by HPLC Method E and deprotection

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52f99fcbc8cf4cacbb8ee6b8b4f5c0ff
来源数据集: uspto-grants-2014_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08895544B2
来源说明: uspto-grants-2014_11

反应 SMILES

Cl[C:2]1[N:3]=[CH:4][C:5]([C:8]([N:10]2[CH2:15][CH2:14][C:13]3[NH:16][C:17]([C:19]4[C:27]5[C:22](=[CH:23][C:24]([C:28]6[CH:33]=[C:32]([F:34])[C:31]([OH:35])=[CH:30][C:29]=6[CH2:36][CH3:37])=[CH:25][CH:26]=5)[NH:21][N:20]=4)=[N:18][C:12]=3[CH2:11]2)=[O:9])=[N:6][CH:7]=1.C(OC([N:45]1[CH2:50][CH2:49][NH:48][CH2:47][C@@H:46]1[CH3:51])=O)(C)(C)C>>[CH2:36]([C:29]1[CH:30]=[C:31]([OH:35])[C:32]([F:34])=[CH:33][C:28]=1[C:24]1[CH:23]=[C:22]2[C:27]([C:19]([C:17]3[NH:16][C:13]4[CH2:14][CH2:15][N:10]([C:8]([C:5]5[N:6]=[CH:7][C:2]([N:48]6[CH2:49][CH2:50][NH:45][C@@H:46]([CH3:51])[CH2:47]6)=[N:3][CH:4]=5)=[O:9])[CH2:11][C:12]=4[N:18]=3)=[N:20][NH:21]2)=[CH:26][CH:25]=1)[CH3:37]