HRID22355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID5460307

Fumerate

C4H2O4-2

HCID11208889

bis(4-fluorophenyl)(piperidin-4-yl)methanol

C18H19F2NO

HCID19927690

未命名化合物

PRODUCTS

生成物

结构：COc1cc2oc(=O)c3c(c2cc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)CCC3

HCID19927669

未命名化合物

收率 67%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID15413

Methyl tert-butyl ether

C5H12O

PROCEDURE

实验过程

Method B (38 h at 60° C.); starting materials: 8-(3-chloropropoxy)-2,3-dihydro-7-methoxy-cyclopenta[c][1]benzopyran-4(1H)-one (example 83) and 4-[bis(4-fluorophenyl)hydroxy-methyl]piperidine; yield 67%; fusion point 91° C. (decomposes; from acetone and TBME). Fumarate (×0.5 C4H4O4): method E; yield 70%; fusion point 191° C. (decomposes; from water).

WORKUP

后处理

customMethod B (38 h at 60° C.)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb603f9d9f244b9cb7303716b685f5eb
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

Cl[CH2:2][CH2:3][CH2:4][O:5][C:6]1[C:7]([O:20][CH3:21])=[CH:8][C:9]2[O:14][C:13](=[O:15])[C:12]3[CH2:16][CH2:17][CH2:18][C:11]=3[C:10]=2[CH:19]=1.[F:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]([C:37]2[CH:42]=[CH:41][C:40]([F:43])=[CH:39][CH:38]=2)([OH:36])[CH:30]2[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]2)=[CH:25][CH:24]=1.CC(C)=O.C([O-])(=O)/C=C/C([O-])=O>O.CC(OC)(C)C>[F:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]([C:37]2[CH:38]=[CH:39][C:40]([F:43])=[CH:41][CH:42]=2)([OH:36])[CH:30]2[CH2:31][CH2:32][N:33]([CH2:2][CH2:3][CH2:4][O:5][C:6]3[C:7]([O:20][CH3:21])=[CH:8][C:9]4[O:14][C:13](=[O:15])[C:12]5[CH2:16][CH2:17][CH2:18][C:11]=5[C:10]=4[CH:19]=3)[CH2:34][CH2:35]2)=[CH:25][CH:24]=1