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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
上游原料
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图谱
13C NMR : Predict

1H NMR : Predict
