HRID1838873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7021536

2-Propanamine, 1-methoxy-, (2S)-

C4H11NO

结构：Cn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(S(C)(=O)=O)n2)n1C1CCN(C(=O)OC(C)(C)C)CC1

HCID60061131

未命名化合物

PRODUCTS

生成物

结构：COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID60061142

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1140

Toluene

C7H8

CONDITIONS

反应条件

温度: 90 °C

PROCEDURE

实验过程

To a solution of 4-[4-(4-fluorophenyl)-2-methyl-5-(2-methanesulfonyl-pyrimidin-4-yl)-3-oxo-2,3-dihydro-pyrazol-1-yl]-piperidine-1 carboxylic acid tert-butyl ester, 12, (6 g, 12 mmol) in toluene (30 mL) is added (S)-2-amino-3-methoxypropane (2.14 g, 24 mmol). After stirring at 90° C. for 2 hours, the reaction mixture is cooled to room temperature and then concentrated in vacuo. Purification over silica (50% EtOAc/hexane) affords the desired product.

WORKUP

后处理

temperaturethe reaction mixture is cooled to room temperature
concentrationconcentrated in vacuo
customPurification over silica (50% EtOAc/hexane)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cea8d7af68f44d30855fdb8c67e28fba
来源数据集: uspto-grants-2004_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06677337B2
来源说明: uspto-grants-2004_01

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[C:18]([C:19]3[CH:24]=[CH:23][N:22]=[C:21](S(C)(=O)=O)[N:20]=3)=[C:17]([C:29]3[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=3)[C:16](=[O:36])[N:15]2[CH3:37])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:38][C@H:39]([CH2:41][O:42][CH3:43])[CH3:40]>C1(C)C=CC=CC=1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[C:18]([C:19]3[CH:24]=[CH:23][N:22]=[C:21]([NH:38][C@@H:39]([CH3:40])[CH2:41][O:42][CH3:43])[N:20]=3)=[C:17]([C:29]3[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=3)[C:16](=[O:36])[N:15]2[CH3:37])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]