HRID13023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10796

Cesium carbonate

CCs2O3

HCID59251128

未命名化合物

HCID66812834

未命名化合物

PRODUCTS

生成物

结构：C[C@H](N)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2ccccc2c1.Cl

HCID66812502

未命名化合物

HCID86756611

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

溶剂HCID8008

Butanenitrile

C4H7N

PROCEDURE

实验过程

The subtitle compound was prepared analogous to the method described in Example 19 (step 19a). (1R,2S)-2-amino-1-(naphthalen-2-yl)propan-1-ol hydrochloride (238 mg, 1.00 mmol), 1-(4-fluorophenyl)-5-iodo-1H-indazole (406 mg, 1.20 mmol), Cesium carbonate (979 mg, 3.00 mmol) and copper(I) iodide (38.1 mg, 0.20 mmol) in Butyronitrile (3 mL) was heated for 19 h at +125° C. in a sealed reactiontube flushed with Argon. After final purification by HPLC the obtained material was isolated as a brownish coloured hydrochloride salt from tert-butylmethylether/HCl.

WORKUP

后处理

customflushed with Argon
customAfter final purification by HPLC the obtained material

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-947f88f0e9fb4cf3906cb5ff60185fa8
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07728030B2
来源说明: uspto-grants-2010_06

反应 SMILES

[ClH:1].[NH2:2][C@@H:3]([CH3:16])[C@@H:4]([C:6]1[CH:15]=[CH:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH:7]=1)[OH:5].[F:17][C:18]1[CH:23]=[CH:22][C:21]([N:24]2[C:32]3[C:27](=[CH:28][C:29](I)=[CH:30][CH:31]=3)[CH:26]=[N:25]2)=[CH:20][CH:19]=1.[C:34](=O)([O-])[O-:35].[Cs+].[Cs+]>C(#N)CCC.[Cu]I>[ClH:1].[F:17][C:18]1[CH:19]=[CH:20][C:21]([N:24]2[C:32]3[C:27](=[CH:28][C:29]([O:5][C@H:4]([C:6]4[CH:15]=[CH:14][C:13]5[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=5)[CH:7]=4)[C@@H:3]([NH2:2])[CH3:16])=[CH:30][CH:31]=3)[CH:26]=[N:25]2)=[CH:22][CH:23]=1.[C:13]([O:35][CH3:34])([CH3:12])([CH3:8])[CH3:14].[ClH:1]