HRID459818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID144009

4-Chloro-2-isocyanato-1-methoxybenzene

C8H6ClNO2

结构：COC(=O)/C=C/c1cccc(F)c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11983908

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1c2cccc(F)c2N=C(N2CCN(c3ccc(F)cc3)CC2)N1c1cc(Cl)ccc1OC

HCID58824015

未命名化合物

PROCEDURE

实验过程

Starting with 1.0 g (2.2 mmol) of the iminophosphorane from Example 10A, 423 mg (2.31 mmol) of 2-methoxy-5-chlorophenyl isocyanate and 396 mg (2.2 mmol) of 4-fluorophenylpiperazine, 621 mg (52% of theory) of product are obtained after purification by preparative HPLC.

WORKUP

后处理

customare obtained
customafter purification by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e79e24a26fd4347a943b758c2a6e265
来源数据集: uspto-grants-2007_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07196086B2
来源说明: uspto-grants-2007_03

反应 SMILES

[F:1][C:2]1[C:3]([N:14]=P(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=[C:4](/[CH:8]=[CH:9]/[C:10]([O:12][CH3:13])=[O:11])[CH:5]=[CH:6][CH:7]=1.[CH3:34][O:35][C:36]1[CH:41]=[CH:40][C:39]([Cl:42])=[CH:38][C:37]=1[N:43]=[C:44]=O.[F:46][C:47]1[CH:52]=[CH:51][C:50]([N:53]2[CH2:58][CH2:57][NH:56][CH2:55][CH2:54]2)=[CH:49][CH:48]=1>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]2[C:3]=1[N:14]=[C:44]([N:56]1[CH2:55][CH2:54][N:53]([C:50]3[CH:49]=[CH:48][C:47]([F:46])=[CH:52][CH:51]=3)[CH2:58][CH2:57]1)[N:43]([C:37]1[C:36]([O:35][CH3:34])=[CH:41][CH:40]=[C:39]([Cl:42])[CH:38]=1)[CH:8]2[CH2:9][C:10]([O:12][CH3:13])=[O:11]