HRID1878422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79882

2,2-Dimethyl-1-propylamine

C5H13N

结构：CC(C)(NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)c1)C(F)(F)F

HCID57917651

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C(F)(F)F)c3)CC2)cc1F

HCID25191377

未命名化合物

收率 66.1%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

3-((4-(4-Amino-3-fluorobenzoyl)piperazin-1-y)methyl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide (0.480 mmol, 224 mg) and 4-nitrophenylchloroformate (0.528 mmol, 108 mg) were stirred together in dichloromethane (2 mL) for 16 hours. Neopentylamine (2.4 mol, 300 μL) was added and the volatiles were removed under vacuum. The residue was purified by silica chromatography to yield the title compound (184 mg). MS (ESI) m/z 580.1 [M+H]+

WORKUP

后处理

customthe volatiles were removed under vacuum
customThe residue was purified by silica chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a64ce9bbebc4949a2ade05d2f704a9f
来源数据集: uspto-grants-2012_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08314091B2
来源说明: uspto-grants-2012_11

反应 SMILES

[NH2:1][C:2]1[CH:32]=[CH:31][C:5]([C:6]([N:8]2[CH2:13][CH2:12][N:11]([CH2:14][C:15]3[CH:16]=[C:17]([CH:28]=[CH:29][CH:30]=3)[C:18]([NH:20][C:21]([CH3:27])([CH3:26])[C:22]([F:25])([F:24])[F:23])=[O:19])[CH2:10][CH2:9]2)=[O:7])=[CH:4][C:3]=1[F:33].C1C([N+]([O-])=O)=CC=C([Cl-][C:44]([O-])=[O:45])C=1.[CH2:47]([NH2:52])[C:48]([CH3:51])([CH3:50])[CH3:49]>ClCCl>[F:33][C:3]1[CH:4]=[C:5]([CH:31]=[CH:32][C:2]=1[NH:1][C:44]([NH:52][CH2:47][C:48]([CH3:51])([CH3:50])[CH3:49])=[O:45])[C:6]([N:8]1[CH2:9][CH2:10][N:11]([CH2:14][C:15]2[CH:16]=[C:17]([CH:28]=[CH:29][CH:30]=2)[C:18]([NH:20][C:21]([CH3:27])([CH3:26])[C:22]([F:25])([F:24])[F:23])=[O:19])[CH2:12][CH2:13]1)=[O:7]