HRID1666089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID22393520

N,2,2-Trimethylpropan-1-amine--hydrogen chloride (1/1)

C6H16ClN

结构：CNC(=O)c1ccc(C)c(Nc2cc(F)nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c1

HCID58928515

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(C)c(Nc2cc(N(C)CC(C)(C)C)nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c1

HCID58928534

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

CONDITIONS

反应条件

温度: 90 °C

PROCEDURE

实验过程

A mixture of 3-(R)-[4-fluoro-6-(2-methyl-5-methylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester (0.36 g, 0.81 mmol), N-methyl-neopentylamine hydrochloride (411 mg, 3 mmol) and DIEA (0.4 mL) in 1,4-dioxane (0.5 mL) was stirred at 90° C. overnight. After removing the solvent under reduced pressure the desired product (81 mg) was purified by silica gel chromatography. C28H43N7O3 MS m/e=526 (M+H).

WORKUP

后处理

customAfter removing the solvent under reduced pressure the desired product (81 mg)
customwas purified by silica gel chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5094cdd06b574030aebbe19ed8ff304c
来源数据集: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08044040B2
来源说明: uspto-grants-2011_10

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C@@H:10]([NH:13][C:14]2[N:19]=[C:18](F)[CH:17]=[C:16]([NH:21][C:22]3[CH:27]=[C:26]([C:28](=[O:31])[NH:29][CH3:30])[CH:25]=[CH:24][C:23]=3[CH3:32])[N:15]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.[CH3:34][NH:35][CH2:36][C:37]([CH3:40])([CH3:39])[CH3:38].CCN(C(C)C)C(C)C>O1CCOCC1>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C@@H:10]([NH:13][C:14]2[N:19]=[C:18]([N:35]([CH2:36][C:37]([CH3:40])([CH3:39])[CH3:38])[CH3:34])[CH:17]=[C:16]([NH:21][C:22]3[CH:27]=[C:26]([C:28](=[O:31])[NH:29][CH3:30])[CH:25]=[CH:24][C:23]=3[CH3:32])[N:15]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]