HRID549607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10821

Phenylacetylene

C8H6

结构：CCOC(=O)COc1ccc(Sc2cc(Br)cc(OCC(CC)CC)c2)cc1C

HCID57791914

未命名化合物

结构：CCOC(=O)COc1ccc(Sc2cc(C#Cc3ccc(CO)cc3)cc(OCCc3ccc(Cl)cc3)c2)cc1C

HCID67024299

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(Sc2cc(C#Cc3ccccc3)cc(OCC(CC)CC)c2)cc1C

HCID67170143

未命名化合物

PROCEDURE

实验过程

The title product was prepared from {4-[3-Bromo-5-(2-ethyl-butoxy)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester (200 mg; 0.42 mmol), (phenyl acetylene (170 mg; 1.66 mmol) applying the procedure described for {4-[3-[2-(4-Chloro-phenyl)ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester. The crude product was purified by preparative HPLC (method B). Yield: 170 mg (82%). HPLC-MS: m/z: 502.9 (M)+; Rt: 3.32 min.

WORKUP

后处理

customThe crude product was purified by preparative HPLC (method B)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45b097b9884340169a9cd785c3f256eb
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07943669B2
来源说明: uspto-grants-2011_05

反应 SMILES

[CH2:1]([O:3][C:4](=[O:29])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([S:13][C:14]2[CH:19]=[C:18]([O:20][CH2:21][CH:22]([CH2:25][CH3:26])[CH2:23][CH3:24])[CH:17]=[C:16](Br)[CH:15]=2)=[CH:9][C:8]=1[CH3:28])[CH3:2].[C:30]1([C:36]#[CH:37])[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C(OC(=O)COC1C=CC(SC2C=C(C#CC3C=CC(CO)=CC=3)C=C(OCCC3C=CC(Cl)=CC=3)C=2)=CC=1C)C>>[CH2:1]([O:3][C:4](=[O:29])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([S:13][C:14]2[CH:15]=[C:16]([C:37]#[C:36][C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[CH:17]=[C:18]([O:20][CH2:21][CH:22]([CH2:25][CH3:26])[CH2:23][CH3:24])[CH:19]=2)=[CH:9][C:8]=1[CH3:28])[CH3:2]