HRID465654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CNC(c1ccccc1)c1ccccc1

HCID1645639

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CN(C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1

HCID19874922

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

Excess phenylisocyanate (0.44 g) was added to a mixture of the product from Example 4 (0.60 g) in 100 mL EtOAc at room temperature. After sitting for a short period of time at room temperature, the solvent was removed in vacuo. EtOAc was added to the residue and allowed to sit 2 days at room temperature. The ethyl acetate was removed on the rotary evaporator. The residual solid was slurried in hexane/EtOAc, 1/1 and collected by filtration. (0.82 g) (100%). NMR (CDCl3) δ 1.06 (12H, d), δ 2.66 (2H, m), δ 4.24 (2H, s), δ 6.44 (1H, bs), δ 6.9-7.5 (18H, m), δ 7.93 (1H, bs). IR (KBr) 3391, 2964, 1648, 1531, 1444, 752, 700 cm-1.

WORKUP

后处理

waitAfter sitting for a short period of time at room temperature
customthe solvent was removed in vacuo
additionEtOAc was added to the residue
customThe ethyl acetate was removed on the rotary evaporator
filtration1/1 and collected by filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-044a2cc4afe5461db9f31ac338a6ec33
来源数据集: uspto-grants-1992_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05153226
来源说明: uspto-grants-1992_10

反应 SMILES

[C:1]1([N:7]=[C:8]=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:10][CH:11]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([CH:19]([CH3:21])[CH3:20])[C:14]=1[NH:22][C:23](=[O:39])[CH2:24][NH:25][CH:26]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[CH3:12]>CCOC(C)=O>[CH3:12][CH:11]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([CH:19]([CH3:20])[CH3:21])[C:14]=1[NH:22][C:23](=[O:39])[CH2:24][N:25]([CH:26]([C:33]1[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=1)[C:27]1[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=1)[C:8]([NH:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)=[O:9])[CH3:10]