HRID565930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13007

Piperidine, 1-ethyl-

C7H15N

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CCl)cc2)CCO3)cc1

HCID18472316

未命名化合物

PRODUCTS

生成物

结构：CC[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccc(C)cc5)ccc4OCC3)cc2)CCCCC1.[Cl-]

HCID18472548

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

A solution of N-(4-chloromethylphenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide (0.18g) and 1-ethylpiperidine (0.31ml) in dimethylformamide (5ml) were stirred at 50° C. over night. The solvent was evaporated, and to the residue was added ethyl acetate. Precipitated crude crystal was filtered, which were recrystallized from ethanol-ethyl acetate to give 1-(N-(7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carbonyl)-4-amino-benzyl)-1-ethylpiperidinium chloride (Compound 98) (0.17g) as colorless crystals.

WORKUP

后处理

customThe solvent was evaporated
additionto the residue was added ethyl acetate
customPrecipitated crude crystal
filtrationwas filtered
customwhich were recrystallized from ethanol-ethyl acetate

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb528625f7bd45e3af32f79c1a3a4a69
来源数据集: uspto-grants-2001_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06172061B2
来源说明: uspto-grants-2001_01

反应 SMILES

[Cl:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]([C:12]2[CH2:13][CH2:14][O:15][C:16]3[CH:22]=[CH:21][C:20]([C:23]4[CH:28]=[CH:27][C:26]([CH3:29])=[CH:25][CH:24]=4)=[CH:19][C:17]=3[CH:18]=2)=[O:11])=[CH:5][CH:4]=1.[CH2:30]([N:32]1[CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]1)[CH3:31]>CN(C)C=O>[Cl-:1].[CH3:29][C:26]1[CH:27]=[CH:28][C:23]([C:20]2[CH:21]=[CH:22][C:16]3[O:15][CH2:14][CH2:13][C:12]([C:10]([NH:9][C:6]4[CH:7]=[CH:8][C:3]([CH2:2][N+:32]5([CH2:30][CH3:31])[CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]5)=[CH:4][CH:5]=4)=[O:11])=[CH:18][C:17]=3[CH:19]=2)=[CH:24][CH:25]=1