HRID50063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11430

Potassium Carbonate

CK2O3

HCID18539243

未命名化合物

结构：Cl.O=C(c1ccccc1)N1CCCC(CCCN2CCC(C(=O)N3CCCC3)CC2)(c2ccc(Cl)c(Cl)c2)C1

HCID22741714

未命名化合物

PRODUCTS

生成物

结构：Cl.N#CC1(Cc2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1.O

HCID22741809

未命名化合物

收率 105.6%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

This compound is prepared by the procedure described in EXAMPLE 4, starting from 2.5 g of 4-benzyl-4-cyanopiperidine, 5 g of the compound obtained in step B of EXAMPLE 1, 3.7 g of K2CO3 and 50 ml of DMF. The product obtained is chromatographed on silica H using DCM and then a DCM/MeOH mixture (97/3; v/v) as the eluent. The product obtained is taken up with ethereal hydrogen chloride and the solvent is evaporated off under vacuum to give 2.8 g of the expected product after crystallization from iso ether.

WORKUP

后处理

customThis compound is prepared by the procedure
customThe product obtained
customis chromatographed on silica H
customThe product obtained
customthe solvent is evaporated off under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cbf979eac5642f3b526fa0792c90297
来源数据集: uspto-grants-2004_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06710042B2
来源说明: uspto-grants-2004_03

反应 SMILES

[CH2:1]([C:8]1([C:14]#[N:15])[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[C:17]([N:25]1[CH2:30][CH2:29][CH2:28][C:27]([C:47]2[CH:52]=[CH:51][C:50]([Cl:53])=[C:49]([Cl:54])[CH:48]=2)([CH2:31][CH2:32][CH2:33]N2CCC(C(N3CCCC3)=O)CC2)[CH2:26]1)(=[O:24])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C([O-])([O-])=O.[K+].[K+].Cl>CN(C=O)C>[OH2:24].[ClH:53].[C:17]([N:25]1[CH2:30][CH2:29][CH2:28][C:27]([CH2:31][CH2:32][CH2:33][N:11]2[CH2:10][CH2:9][C:8]([CH2:1][C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)([C:14]#[N:15])[CH2:13][CH2:12]2)([C:47]2[CH:52]=[CH:51][C:50]([Cl:53])=[C:49]([Cl:54])[CH:48]=2)[CH2:26]1)(=[O:24])[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1