HRID1292040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1C(=O)O

HCID9864117

未命名化合物

HCID22063089

1-(Piperidin-4-yl)-1,4-dihydro-2H-3,1-benzoxazin-2-one--hydrogen chloride (1/1)

C13H17ClN2O2

PRODUCTS

生成物

结构：COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1

HCID19073531

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

4-(N-t-butyloxycarbonyl-4-piperidinyloxy)-5-fluoro-2-methoxybenzoic acid from step 6 above and 1-(4-piperidinyl)-4H-3,1-benzoxazin-2(1H)-one hydrochloride from step 3 of Example 1 were coupled using the procedure given in step 6 of Example 1. 1-(1-(4-(N-tert-butyloxycarbonyl-4-piperidinyloxy)-5-fluoro-2-methoxy-benzoyl) piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one was obtained as an amorphous solid (TLC Rf = 0.17 (4:1 EtOAc:hexanes); HPLC (method A) retention time= 9.8 min); FAB MS m/z 584 (M+ +H)).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3df85d8a3c1423893fb4f36cac1770c
来源数据集: uspto-grants-1998_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05756497
来源说明: uspto-grants-1998_05

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[C:23]([F:24])=[CH:22][C:18]([C:19]([OH:21])=O)=[C:17]([O:25][CH3:26])[CH:16]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.[NH:28]1[CH2:33][CH2:32][CH:31]([N:34]2[C:39]3[CH:40]=[CH:41][CH:42]=[CH:43][C:38]=3[CH2:37][O:36][C:35]2=[O:44])[CH2:30][CH2:29]1>CCOC(C)=O>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:11]([O:14][C:15]2[C:23]([F:24])=[CH:22][C:18]([C:19]([N:28]3[CH2:29][CH2:30][CH:31]([N:34]4[C:39]5[CH:40]=[CH:41][CH:42]=[CH:43][C:38]=5[CH2:37][O:36][C:35]4=[O:44])[CH2:32][CH2:33]3)=[O:21])=[C:17]([O:25][CH3:26])[CH:16]=2)[CH2:12][CH2:13]1)=[O:7])([CH3:2])([CH3:3])[CH3:4]