HRID733596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14798

Sodium Hydroxide

HNaO

HCID66039

3-Cyclopentylpropionyl chloride

C8H13ClO

结构：CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(C(=O)OC)cc3)C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1

HCID57841411

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(C(=O)O)cc3)C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1

HCID11295907

未命名化合物

PROCEDURE

实验过程

The titled compound was prepared following the procedure F using methyl 4-[((4-tert-butylbenzoyl){4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]benzoate and NaOH 5M in the presence of MeOH/THF 1/1, as a brown solid (95%). 1H NMR (CDCl3, 300 MDz) δ 8.09 (d, 2H, J=7.9 Hz), 7.54-7.32 (m, 6H), 7.22-7.09 (m, 4H), 4.79-4.42 (m, 4H), 2.62 (t, 2H, J=7.7 Hz), 1.70-1.05 (m, 14H), 0.97-0.75 (m, 6H). M− (ESI): 556.3; M+ (ESI): 558.4. HPLC, Rt: 6.03 min (Purity: 98.8%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbc827f716cb47f89bfc6dc48ee6b5e9
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07589232B2
来源说明: uspto-grants-2009_09

反应 SMILES

[C:1]([C:5]1[CH:43]=[CH:42][C:8]([C:9]([N:11]([CH2:31][C:32]2[CH:41]=[CH:40][C:35]([C:36]([O:38]C)=[O:37])=[CH:34][CH:33]=2)[CH2:12][C:13]2[CH:18]=[CH:17][C:16]([C:19]#[C:20][C:21]3[CH:26]=[CH:25][C:24]([CH2:27][CH2:28][CH2:29][CH3:30])=[CH:23][CH:22]=3)=[CH:15][CH:14]=2)=[O:10])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].C1(CCC(Cl)=O)CCCC1>>[C:1]([C:5]1[CH:6]=[CH:7][C:8]([C:9]([N:11]([CH2:31][C:32]2[CH:41]=[CH:40][C:35]([C:36]([OH:38])=[O:37])=[CH:34][CH:33]=2)[CH2:12][C:13]2[CH:18]=[CH:17][C:16]([C:19]#[C:20][C:21]3[CH:26]=[CH:25][C:24]([CH2:27][CH2:28][CH2:29][CH3:30])=[CH:23][CH:22]=3)=[CH:15][CH:14]=2)=[O:10])=[CH:42][CH:43]=1)([CH3:2])([CH3:3])[CH3:4]