HRID1967019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18614

Methyl 4-aminobutanoate

C5H11NO2

结构：COC(=O)CNC(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID53312194

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCNC(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID67320742

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 1, from 2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoic acid (Example 29, intermediate) and methyl 4-aminobutyrate (commercially available, CAS RN 3251-07-8) and using a gradient of n-heptane:ethyl acetate (100:0 to 0:100) for the chromatographic purification. Light brown foam (42%). MS (ESI): m/z=583.150 [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-69589d7a9b914675b1b340d9cb993561
来源数据集: uspto-grants-2013_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08420647B2
来源说明: uspto-grants-2013_04

反应 SMILES

COC(=O)[CH2:4][NH:5][C:6](=[O:37])[C:7]1[CH:12]=[C:11]([Cl:13])[C:10]([O:14][C:15]2[CH:20]=[CH:19][N:18]=[CH:17][C:16]=2[C:21]([N:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[N:26]([CH:33]3[CH2:35][CH2:34]3)[CH2:25][CH2:24]2)=[O:22])=[CH:9][C:8]=1[Cl:36].NC[CH2:41][CH2:42][C:43]([O:45][CH3:46])=[O:44]>CCCCCCC.C(OCC)(=O)C>[CH3:46][O:45][C:43](=[O:44])[CH2:42][CH2:41][CH2:4][NH:5][C:6](=[O:37])[C:7]1[CH:12]=[C:11]([Cl:13])[C:10]([O:14][C:15]2[CH:20]=[CH:19][N:18]=[CH:17][C:16]=2[C:21]([N:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[N:26]([CH:33]3[CH2:35][CH2:34]3)[CH2:25][CH2:24]2)=[O:22])=[CH:9][C:8]=1[Cl:36]