HRID81408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11430

Potassium Carbonate

CK2O3

HCID3734506

2-[4-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H18BBrO2

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n[nH]c21

HCID178448719

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc21

HCID68502721

未命名化合物

收率 38%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

PROCEDURE

实验过程

A mixture of 7-isobutyl-5-methyl-3-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione (12.0 mg, 0.0383 mmol), 2-(4-(bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (0.0383 mmol) and potassium carbonate (5.3 mg, 0.0383 mmol) in acetone (2.5 mL) is stirred at room temperature overnight. The solvent is evaporated under reduced pressure. The residue is directly purified by chromatography to give 7.0 mg product as white solids (Yield: 38.0%). MS (ESI) m/z 530.3 [M+H]+.

WORKUP

后处理

customThe solvent is evaporated under reduced pressure
customThe residue is directly purified by chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b71a89a30b244e3924ac0ed1dfe53a8
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846693B2
来源说明: uspto-grants-2014_09

反应 SMILES

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