764667-64-3

• 常用中文名：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
• 常用英文名：5-(1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• CAS号：764667-64-3
• 分子式：C₁₄H₁₁F₃O₅
• 分子量：316.229
• 发布时间：2018-10-07 22:59:24
• 更新时间：2026-07-13 00:06:17

名称

• 中文名: 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
• 英文名: 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• 中文别名: 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(西格列汀杂质); 西格列汀杂质91; 西他列汀杂质96; 5-[1-羟基-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; 西格列汀杂质11; 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; 5-(1-羟基-2-(2,4,5-三氟苯基)乙烯基)-2,2-二甲基-1,3-二氧杂-4,6-二酮; 西他列汀-INT A1; 西他列汀-int A1
• 英文别名: hydroxy-2-(2,4,5-trifluorophenyl)ethylidene-2,2-dimethyl-1,3-dioxane-4,6-dione 764-3; 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimeth; 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidine]-2,2-dimethyl-1,3-dioxane-4,6-dione; Sitagliptin-9; 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)-4,6-dionethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione; Sitagliptin impurity 42/Sitagliptin Dioxo Impurity/5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl- 1,3-dioxane-4,6-dione; 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)et; 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-diMethyl-1,3-dioxane-4,6-dion; 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; Sitagliptin Impurity 96; 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione; ethylidene); 1,3-Dioxane-4,6-dione,5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-diMethyl; 5-(1-Hydroxy-2-(2,4,5-trifluorophenyl); 5-[1-hydroxy-,4,5-trifluorophenyl0ethylidene]-2,2-dimethyl; 5-(1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (Sitagliptin Impurity); 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 489.0±45.0 °C at 760 mmHg
• 分子式: C₁₄H₁₁F₃O₅
• 分子量: 316.229
• 闪点: 249.6±28.7 °C
• 精确质量: 316.055847
• PSA: 72.83000
• LogP: 1.01
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.524
• 储存条件: 2-8°C，保存于惰性气体中

合成路线

2033-24-1 209995-38-0 ~95% 764667-64-3

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

2033-24-1 1176895-65-0 ~% 764667-64-3

文献：WO2010/32264 A2, ; Page/Page column 25-26 ;

209995-38-0 ~% 764667-64-3

文献：US2011/213149 A1, ;