HRID215915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78113

Diethyl (3-aminopropyl)phosphonate

C7H18NO3P

结构：COc1cccc(N(C)C)c1CN1CCC(Nc2nc(Cl)nc3ccccc23)CC1

HCID58006255

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CCCNc1nc(NC2CCN(Cc3c(OC)cccc3N(C)C)CC2)c2ccccc2n1)OCC

HCID58006204

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID263

1-Butanol

C4H10O

CONDITIONS

反应条件

温度: 117 °C

PROCEDURE

实验过程

Following General Procedure D, Compound 47 (50 mg, 0.12 mmol) and diethyl 3-aminopropylphosphonate (69 mg, 0.36 mmol) in n-BuOH (3 mL) were heated to 117° C. for 24 h with a reflux condenser. The product (Compound 81) was purified by preparative silica gel TLC plate 1000μ using 5% (7N NH3-MeOH) and 95% CH2Cl2 solution as eluent.

WORKUP

后处理

customThe product (Compound 81) was purified by preparative silica gel TLC plate

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce4843057c1b49bcb9d1098f304d04c1
来源数据集: uspto-grants-2012_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08193203B2
来源说明: uspto-grants-2012_06

反应 SMILES

Cl[C:2]1[N:11]=[C:10]([NH:12][CH:13]2[CH2:18][CH2:17][N:16]([CH2:19][C:20]3[C:25]([O:26][CH3:27])=[CH:24][CH:23]=[CH:22][C:21]=3[N:28]([CH3:30])[CH3:29])[CH2:15][CH2:14]2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[NH2:31][CH2:32][CH2:33][CH2:34][P:35](=[O:42])([O:39][CH2:40][CH3:41])[O:36][CH2:37][CH3:38]>CCCCO>[CH3:29][N:28]([CH3:30])[C:21]1[CH:22]=[CH:23][CH:24]=[C:25]([O:26][CH3:27])[C:20]=1[CH2:19][N:16]1[CH2:17][CH2:18][CH:13]([NH:12][C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[N:3]=[C:2]([NH:31][CH2:32][CH2:33][CH2:34][P:35](=[O:42])([O:36][CH2:37][CH3:38])[O:39][CH2:40][CH3:41])[N:11]=2)[CH2:14][CH2:15]1