769195-26-8

• 常用中文名：3-氧代-4-(2,4,5-三氟苯基)丁酸甲酯
• 常用英文名：Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
• CAS号：769195-26-8
• 分子式：C₁₁H₉F₃O₃
• 分子量：246.183
• 发布时间：2018-12-17 20:38:44
• 更新时间：2026-07-12 16:20:25

名称

• 中文名: 3-氧代-4-(2,4,5-三氟苯基)丁酸甲酯
• 英文名: Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
• 中文别名: 3-羰基-4-(2,4,5-三氟苯基) 丁酸甲酯; 西格杂质22; 3-氧杂-4-(2,4,5-三氟苯基) 丁酸甲酯; 西格列汀杂质12; 3-氧代-4-(2,4,5-三氟苯基)丁酸甲酯 西他列汀中间体; 西格列汀杂质 17; 西他列汀-INT A2; 西他列汀中间体 769-8|3-氧代-4-(2,4,5-三氟苯基)丁酸甲酯; 西他列汀-int A2; 西他列汀中间体
• 英文别名: Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)bu; ethyl (S)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate; 4-(2,4,5-trifluoro-phenyl)-3-oxo-butyric acid methyl ester; Methyl 2,4,5-trifluoro-b-oxo-benzenebutanoate; Sitagliptin Impurity 17; Benzenebutanoicacid,2,4,5-trifluoro-b-oxo-,Methylester; Sitagliptin Impurity 55; 2,4,5-TRIFLUORO-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER; 4-(2,4,5 )triflorophenyl 3-oxobutanoic acid, Methy ester; 3-OXO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID METHYL ESTER; Methyl 3-oxo-4-(2,4,5-trifluorophenyl); 3-oxo-4-(2,4,5-trifluorophenyl; Benzenebutanoic acid, 2,4,5-trifluoro-β-oxo-, methyl ester; 3-oxo-4-(2,4,5-trifluorophenyl)butanoic acid methyl ester; Sitagliptin-10; 2,4,5-Trifluoro-β-oxo-benzenebutanoic Acid Methyl Ester; RETAG-003

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 273.3±35.0 °C at 760 mmHg
• 分子式: C₁₁H₉F₃O₃
• 分子量: 246.183
• 闪点: 115.5±20.8 °C
• 精确质量: 246.050385
• PSA: 43.37000
• LogP: 2.09
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.469
• 储存条件: 2-8°C

安全

• 危害码 (欧洲): Xi
• 海关编码: 2918300090

合成路线

38330-80-2 209995-38-0 ~84% 769195-26-8

文献：Kubryk, Michele; Hansen, Karl B. Tetrahedron Asymmetry, 2006 , vol. 17, # 2 p. 205 - 209

764667-64-3 ~85% 769195-26-8

文献：GENERICS [UK] LIMITED; MYLAN INDIA PRIVATE LIMITED; GORE, Vinayak Govind; GADAKAR, Maheshkumar; BHOSLE, Priyanka; SHINDE, Suresh Patent: WO2010/131025 A1, 2010 ; Location in patent: Page/Page column 26 ;

1253056-13-1 ~% 769195-26-8

文献：WO2010/122578 A2, ; Page/Page column 65 ;

67-56-1 764667-64-3 ~88% 769195-26-8

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

67-56-1 1253055-91-2 ~% 769195-26-8

文献：WO2010/122578 A2, ; Page/Page column 44 ;

209995-38-0 ~% 769195-26-8

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 9 p. 2622 - 2628

上下游产品

上游产品  4
38330-80-2 209995-38-0 764667-64-3 67-56-1
下游产品  4
868071-17-4 654671-77-9 486460-00-8 486460-32-6

海关

海关编码	2918300090
中文概述	2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%