HRID1925949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3760025

4-Ethynylaniline

C8H7N

结构：Cc1ccc(Oc2ccc(Nc3ncnc(I)c3N)cc2C)cn1.I

HCID86615747

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc(Nc3ncnc(C#Cc4ccc(N)cc4)c3N)cc2C)cn1

HCID67521091

未命名化合物

收率 65.9%

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

结构：Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1

催化剂HCID178418476

未命名化合物

溶剂HCID6342

Acetonitrile

C2H3N

溶剂HCID8471

Triethylamine

C6H15N

PROCEDURE

实验过程

6-Iodo-N4-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}pyrimidine-4,5-diamine hydriodide (270 mg) was dissolved in a mixed solvent of acetonitrile (10.3 mL)/triethylamine (7.72 mL), and 4-ethynylaniline (80.3 mg), trans-dichlorobis(triphenylphosphine)palladium(II) (20.8 mg) and copper(I) iodide (7.16 mg) were sequentially added. The title compound (134 mg) was obtained as a powder by the reaction in the same manner as in Example 9 (iv).

WORKUP

后处理

additionwere sequentially added

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1b026445565444f8055ce02146491ba
来源数据集: uspto-grants-2012_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08178543B2
来源说明: uspto-grants-2012_05

反应 SMILES

I.I[C:3]1[N:8]=[CH:7][N:6]=[C:5]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([O:16][C:17]3[CH:18]=[N:19][C:20]([CH3:23])=[CH:21][CH:22]=3)=[C:12]([CH3:24])[CH:11]=2)[C:4]=1[NH2:25].[C:26]([C:28]1[CH:34]=[CH:33][C:31]([NH2:32])=[CH:30][CH:29]=1)#[CH:27]>C(#N)C.C(N(CC)CC)C.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I>[NH2:32][C:31]1[CH:33]=[CH:34][C:28]([C:26]#[C:27][C:3]2[N:8]=[CH:7][N:6]=[C:5]([NH:9][C:10]3[CH:15]=[CH:14][C:13]([O:16][C:17]4[CH:18]=[N:19][C:20]([CH3:23])=[CH:21][CH:22]=4)=[C:12]([CH3:24])[CH:11]=3)[C:4]=2[NH2:25])=[CH:29][CH:30]=1