HRID1475450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID81531

Diisopropylethylamine

C8H19N

HCID70980417

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：C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4F)cc32)[C@@H](CO)CN1C(=O)OC(C)(C)C

HCID70980099

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8471

Triethylamine

C6H15N

PROCEDURE

实验过程

Prepared from (2R,5R)-5-hydroxymethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester, chloroacetyl chloride and 6-(2-fluoro-benzyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine using an analogous method to Preparation 203, but with DIPEA as base instead of triethylamine and heating carried out at 40° C. (See also General Procedure 5, below). MS: [M+H]+=527.

WORKUP

后处理

customto Preparation 203
customcarried out at 40° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68c391aab14e48b59b6ce872afe2479c
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].Cl[CH2:18][C:19](Cl)=[O:20].[F:22][C:23]1[CH:40]=[CH:39][CH:38]=[CH:37][C:24]=1[CH2:25][C:26]1[N:31]=[CH:30][C:29]2[C:32]([CH3:36])([CH3:35])[CH2:33][NH:34][C:28]=2[CH:27]=1.CCN(C(C)C)C(C)C>C(N(CC)CC)C>[C:1]([O:5][C:6]([N:8]1[CH2:13][C@H:12]([CH2:14][OH:15])[N:11]([CH2:18][C:19]([N:34]2[C:28]3[CH:27]=[C:26]([CH2:25][C:24]4[CH:37]=[CH:38][CH:39]=[CH:40][C:23]=4[F:22])[N:31]=[CH:30][C:29]=3[C:32]([CH3:36])([CH3:35])[CH2:33]2)=[O:20])[CH2:10][C@H:9]1[CH3:16])=[O:7])([CH3:4])([CH3:3])[CH3:2]