HRID1025884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11745

Ethyl 2-bromoisobutyrate

C6H11BrO2

结构：O=C(c1cnccc1Oc1cc(Cl)c(O)cc1Cl)N1CCN(C2CC2)c2ccccc21

HCID53311358

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID53311361

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21899848

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to Example 58, from (4-cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2,5-dichloro-4-hydroxy-phenoxy)-pyridin-3-yl]-methanone (Example 57) and 2-bromo-2-methyl-propionic acid ethyl ester (commercially available, CAS RN 600-00-0) after a reaction time of 23 hours at room temperature and using a gradient of n-heptane:ethyl acetate (100:0 to 40:60) for the chromatographic purification. Light brown foam (30%). MS (ESI): m/z=570.156 [M+H]+.

WORKUP

后处理

customfor the chromatographic purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82498b89fb59422292f0bad8c93427f0
来源数据集: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08729091B2
来源说明: uspto-grants-2014_05

反应 SMILES

[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[N:7]([C:14]([C:16]3[CH:17]=[N:18][CH:19]=[CH:20][C:21]=3[O:22][C:23]3[CH:28]=[C:27]([Cl:29])[C:26]([OH:30])=[CH:25][C:24]=3[Cl:31])=[O:15])[CH2:6][CH2:5]2)[CH2:3][CH2:2]1.[CH2:32]([O:34][C:35](=[O:40])[C:36](Br)([CH3:38])[CH3:37])[CH3:33]>CCCCCCC.C(OCC)(=O)C>[CH2:32]([O:34][C:35](=[O:40])[C:36]([O:30][C:26]1[CH:25]=[C:24]([Cl:31])[C:23]([O:22][C:21]2[CH:20]=[CH:19][N:18]=[CH:17][C:16]=2[C:14]([N:7]2[C:8]3[C:13](=[CH:12][CH:11]=[CH:10][CH:9]=3)[N:4]([CH:1]3[CH2:2][CH2:3]3)[CH2:5][CH2:6]2)=[O:15])=[CH:28][C:27]=1[Cl:29])([CH3:38])[CH3:37])[CH3:33]