HRID549615

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(OCCC3CCCCC3)c2)cc1C

HCID57791911

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(OCCC3CCCCC3)c2)cc1C

HCID67169780

未命名化合物

PROCEDURE

实验过程

The title product was prepared from {4-[3-Bromo-5-(2-cyclohexyl-ethoxy)phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester (300 mg; 0.58 mmol), phenylacetylen (181.1 mg; 1.8 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: 110 mg (33%). HPLC-MS: m/z: 529.6 (M+H)+; Rt: 3.38 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-89b59c0591214bb180585d6d717910f6
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

C(OC(=O)COC1C=CC(SC2C=C(OCCC3CCCCC3)C=C(Br)C=2)=CC=1C)C.C1(C#C)C=CC=CC=1.[CH2:40]([O:42][C:43](=[O:80])[CH2:44][O:45][C:46]1[CH:51]=[CH:50][C:49]([S:52][C:53]2[CH:58]=[C:57]([C:59]#[C:60][C:61]3[CH:66]=[CH:65][C:64](CO)=[CH:63][CH:62]=3)[CH:56]=[C:55]([O:69][CH2:70][CH2:71][C:72]3[CH:77]=[CH:76][C:75](Cl)=[CH:74][CH:73]=3)[CH:54]=2)=[CH:48][C:47]=1[CH3:79])[CH3:41]>>[CH2:40]([O:42][C:43](=[O:80])[CH2:44][O:45][C:46]1[CH:51]=[CH:50][C:49]([S:52][C:53]2[CH:58]=[C:57]([C:59]#[C:60][C:61]3[CH:62]=[CH:63][CH:64]=[CH:65][CH:66]=3)[CH:56]=[C:55]([O:69][CH2:70][CH2:71][CH:72]3[CH2:77][CH2:76][CH2:75][CH2:74][CH2:73]3)[CH:54]=2)=[CH:48][C:47]=1[CH3:79])[CH3:41]