化学科研者一站式服务平台
-
5-[1-羟基-2-(2,4,5-三氟苯基)亚乙基]-2,2-二甲基-1,3-二氧六环-4,6-二酮
5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
化合物简介
5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is an impurity of the DPP-IV inhibitor Sitagliptin.
基本信息
CAS：764667-64-3
中文别名：西他列汀-int A1;5-[1-羟基-2-9-2,4,5-三氟苯基亚乙基]-2,2-二甲基-1,3-二氧六环-4,6-二酮;
英文别名：5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidine]-2,2-dimethyl-1,3-dioxane-4,6-dione;5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione;2,2-dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxan-4,6-dione;
分子式：C14H11F3O5
分子量：316.229
精确质量：316.056
Psa：72.83
Logp：2.2946
中文别名：西他列汀-int A1;5-[1-羟基-2-9-2,4,5-三氟苯基亚乙基]-2,2-二甲基-1,3-二氧六环-4,6-二酮;
英文别名：5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidine]-2,2-dimethyl-1,3-dioxane-4,6-dione;5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione;2,2-dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxan-4,6-dione;
分子式：C14H11F3O5
分子量：316.229
精确质量：316.056
Psa：72.83
Logp：2.2946
编号系统
物化性质
折射率：1.523
安全信息
生产方法及用途
合成路线
-
参考文献
Ahn, Jin Hee; Shin, Mi Sik; Jun, Mi Ae; Jung, Sun Ho; Kang, Seung Kyu; Kim, Kwang Rok; Rhee, Sang Dal; Kang, Nam Sook; Kim, Sun Young; Sohn, Sang-Kwon; Kim, Sung Gyu; Jin, Mi Sun; Lee, Jie Oh; Cheon, Hyae Gyeong; Kim, Sung Soo Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 9 p. 2622 - 2628
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict
