HRID22334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7096

Phenylpiperazine

C10H14N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID5460307

Fumerate

C4H2O4-2

结构：COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCCOS(C)(=O)=O

HCID19927731

未命名化合物

PRODUCTS

生成物

结构：COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCCN1CCN(c2ccccc2)CC1

HCID19927660

未命名化合物

收率 86%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

溶剂HCID3283

Diethyl Ether

C4H10O

溶剂HCID3776

Isopropanol

C3H8O

PROCEDURE

实验过程

Method B (60 h at 60° C.); starting materials: 6-[3-(methanesulfonyloxy)propoxy]-7-methoxy-4-phenyl-2H-1-benzopyran-2-one (example 78) and 1-phenylpiperazine; yield 86%; fusion point 139°-141° C. (from TBME and isopropanol). Fumarate: method E; yield 93%; fusion point 145°-147° C. (from acetone and diethylether).

WORKUP

后处理

customMethod B (60 h at 60° C.)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a08790196abb44409d3a618f7872e071
来源数据集: uspto-grants-1995_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05428038
来源说明: uspto-grants-1995_06

反应 SMILES

CS(O[CH2:6][CH2:7][CH2:8][O:9][C:10]1[C:11]([O:27][CH3:28])=[CH:12][C:13]2[O:18][C:17](=[O:19])[CH:16]=[C:15]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[C:14]=2[CH:26]=1)(=O)=O.[C:29]1([N:35]2[CH2:40][CH2:39][NH:38][CH2:37][CH2:36]2)[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.CC(OC)(C)C.C([O-])(=O)/C=C/C([O-])=O>C(OCC)C.CC(C)=O.C(O)(C)C>[CH3:28][O:27][C:11]1[C:10]([O:9][CH2:8][CH2:7][CH2:6][N:38]2[CH2:39][CH2:40][N:35]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[CH2:36][CH2:37]2)=[CH:26][C:14]2[C:15]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[CH:16][C:17](=[O:19])[O:18][C:13]=2[CH:12]=1