HRID237481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(B5OC(C)(C)C(C)(C)O5)ccc(F)c43)ccc21

HCID86697106

{(S)-6-[(R)-7-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester

C26H30BFO6

HCID86697144

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5c(C)cc(OCCN6CCCC6=O)cc5C)ccc(F)c43)ccc21

HCID86697145

未命名化合物

PROCEDURE

实验过程

The title compound is prepared from methyl 2-((S)-6-((R)-7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate and 1-(2-(4-bromo-3,5-dimethylphenoxy)ethyl)pyrrolidin-2-one following a procedure analogous to that described in Step 5 of Intermediate 1. The product is purified by HPLC on reversed phase. LC (method 8): tR=0.68 min; Mass spectrum (ESI+): m/z=574 [M+H]+.

WORKUP

后处理

customThe product is purified by HPLC on reversed phase

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92e5fa7848bb4842b18e1af33f5d52e0
来源数据集: uspto-grants-2014_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08642585B2
来源说明: uspto-grants-2014_02

反应 SMILES

[F:1][C:2]1[CH:3]=[CH:4][C:5](B2OC(C)(C)C(C)(C)O2)=[C:6]2[C:10]=1[C@H:9]([O:11][C:12]1[CH:25]=[CH:24][C:15]3[C@H:16]([CH2:19][C:20]([O:22][CH3:23])=[O:21])[CH2:17][O:18][C:14]=3[CH:13]=1)[CH2:8][CH2:7]2.Br[C:36]1[C:50]([CH3:51])=[CH:49][C:39]([O:40][CH2:41][CH2:42][N:43]2[CH2:47][CH2:46][CH2:45][C:44]2=[O:48])=[CH:38][C:37]=1[CH3:52]>>[CH3:52][C:37]1[CH:38]=[C:39]([O:40][CH2:41][CH2:42][N:43]2[CH2:47][CH2:46][CH2:45][C:44]2=[O:48])[CH:49]=[C:50]([CH3:51])[C:36]=1[C:5]1[CH:4]=[CH:3][C:2]([F:1])=[C:10]2[C:6]=1[CH2:7][CH2:8][C@H:9]2[O:11][C:12]1[CH:25]=[CH:24][C:15]2[C@H:16]([CH2:19][C:20]([O:22][CH3:23])=[O:21])[CH2:17][O:18][C:14]=2[CH:13]=1