HRID1475505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID81531

Diisopropylethylamine

C8H19N

HCID70980509

未命名化合物

结构：C[C@@H]1CN[C@@H](CO)CN1C(=O)OC(C)(C)C

HCID71003242

1-Piperazinecarboxylic acid, 5-(hydroxymethyl)-2-methyl-, 1,1-dimethylethyl ester, (2R,5R)-

C11H22N2O3

PRODUCTS

生成物

结构：CCCC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1CO)CC2(C)C

HCID70980732

未命名化合物

收率 60%

PROCEDURE

实验过程

Following methods similar to those described in Preparation 203 or General Procedure 5, starting from (2R,5R)-5-hydroxymethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester (0.69 g, 3.0 mmol), 6-(1,1-difluoro-butyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine, chloroacetyl chloride (185 μL, 2.3 mmol) and DIPEA (1.42 mL, 8.4 mmol), gave the title compound (0.61 g, 60%). MS: [M+H]+=511.

WORKUP

后处理

customthose described in Preparation 203 or General Procedure 5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b3d79ba6c564607829aaa9e02c0a9e8
来源数据集: uspto-grants-2015_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09018214B2
来源说明: uspto-grants-2015_04

反应 SMILES

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