HRID2417391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID168937

Lithium hydroxide hydrate

H3LiO2

结构：COC(=O)c1ccc(Oc2cc(O)c(OC)cc2C2Nc3ccc(C(=N)N)cc3C3c4ccccc4CC23)cc1

HCID69895029

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2Nc3ccc(C(=N)N)cc3C3c4ccccc4CC23)c(Oc2ccc(C(=O)O)cc2)cc1O

HCID22633275

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

The mixture of 4-[2-(2-Carbamimidoyl-5,6a,7,11b-tetrahydro-6H-indeno[2,1-c]quinolin-6-yl)-5-hydroxy-4-methoxy-phenoxy]-benzoic acid methyl ester (54 mg, 0.1 mmol) and lithium hydroxide monohydrate (21 mg, 0.5 mmol) in 2.5 mL of MeOH and 1.5 mL of H2O was stirred at room temperature overnight. The desired product 4-[2-(2-Carbamimidoyl-5,6a,7,11b-tetrahydro-6H-indeno[2,1-c]quinolin-6-yl)-5-hydroxy-4-methoxy-phenoxy]-benzoic acid was purified using reverse phase HPLC. Mass spectrum 521 (M+1).

WORKUP

后处理

customThe desired product 4-[2-(2-Carbamimidoyl-5,6a,7,11b-tetrahydro-6H-indeno[2,1-c]quinolin-6-yl)-5-hydroxy-4-methoxy-phenoxy]-benzoic acid was purified

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b06fef9a8e9e4e54b6721d44ebea1c22
来源数据集: uspto-grants-2004_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06825208B2
来源说明: uspto-grants-2004_11

反应 SMILES

C[O:2][C:3](=[O:40])[C:4]1[CH:9]=[CH:8][C:7]([O:10][C:11]2[CH:16]=[C:15]([OH:17])[C:14]([O:18][CH3:19])=[CH:13][C:12]=2[CH:20]2[CH:29]3[CH2:30][C:31]4[C:36]([CH:28]3[C:27]3[C:22](=[CH:23][CH:24]=[C:25]([C:37](=[NH:39])[NH2:38])[CH:26]=3)[NH:21]2)=[CH:35][CH:34]=[CH:33][CH:32]=4)=[CH:6][CH:5]=1.O.[OH-].[Li+]>CO.O>[C:37]([C:25]1[CH:26]=[C:27]2[C:22](=[CH:23][CH:24]=1)[NH:21][CH:20]([C:12]1[CH:13]=[C:14]([O:18][CH3:19])[C:15]([OH:17])=[CH:16][C:11]=1[O:10][C:7]1[CH:6]=[CH:5][C:4]([C:3]([OH:40])=[O:2])=[CH:9][CH:8]=1)[CH:29]1[CH2:30][C:31]3[C:36]([CH:28]21)=[CH:35][CH:34]=[CH:33][CH:32]=3)(=[NH:38])[NH2:39]