HRID2167070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14798

Sodium Hydroxide

HNaO

HCID141006

4-Methoxy-2-nitrophenyl isothiocyanate

C8H6N2O3S

结构：CC(C)CN(CCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1)CC(C)C

HCID10252009

未命名化合物

2 次

PRODUCTS

生成物

结构：COc1ccc(NC(=S)NCCCN2CCN(CCCN(CC(C)C)CC(C)C)CC2)c([N+](=O)[O-])c1

HCID87388799

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

A solution of N4-(3-{4-[3-(diisobutylamino)propyl]piperizano}propyl)-amine (intermediate of example 16) (103 mg, 0.33 mmol) and 4-methoxy-2-nitrophenyl isothiocyanate (139 mg, 0.66 mmol) in CH2Cl2 (10 mL) has been stirred for 4 h at room temperature. NaOH 1M is added until alkaline pH. Organic layer was washed with NaOH 0.5M and dried over MgSO4. Crude compound is purified by thick-layer chromatography (CH2Cl2/MeOH: 90/10).

WORKUP

后处理

washOrganic layer was washed with NaOH 0.5M
dry with materialdried over MgSO4
customCrude compound is purified by thick-layer chromatography (CH2Cl2/MeOH: 90/10)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-484929fec2164bb4b63e425b1e006229
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09044478B2
来源说明: uspto-grants-2015_06

反应 SMILES

[CH2:1]([N:5]([CH2:28][CH:29]([CH3:31])[CH3:30])[CH2:6][CH2:7][CH2:8][N:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][CH2:17][NH:18]C2NC3C=CC=CC=3N=2)[CH2:11][CH2:10]1)[CH:2]([CH3:4])[CH3:3].[CH3:32][O:33][C:34]1[CH:39]=[CH:38][C:37]([N:40]=[C:41]=[S:42])=[C:36]([N+:43]([O-:45])=[O:44])[CH:35]=1.[OH-].[Na+]>C(Cl)Cl>[CH2:28]([N:5]([CH2:1][CH:2]([CH3:4])[CH3:3])[CH2:6][CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][C:41]([NH:40][C:37]2[CH:38]=[CH:39][C:34]([O:33][CH3:32])=[CH:35][C:36]=2[N+:43]([O-:45])=[O:44])=[S:42])[CH2:13][CH2:14]1)[CH:29]([CH3:31])[CH3:30]