221121-37-5

• 常用中文名：4-(4-氟苯基)-3-氧代丁酸乙酯
• 常用英文名：Ethyl 4-(4-fluorophenyl)-3-oxobutanoate
• CAS号：221121-37-5
• 分子式：C₁₂H₁₃FO₃
• 分子量：224.228
• 发布时间：2016-04-09 10:50:09
• 更新时间：2025-08-24 08:50:19

名称

• 中文名: 4-(4-氟苯基)-3-氧代丁酸乙酯
• 英文名: ethyl 4-(4-fluorophenyl)-3-oxobutanoate
• 英文别名: Benzenebutanoic acid, 4-fluoro-β-oxo-, ethyl ester; Benzenebutanoic acid,4-fluoro-b-oxo-,ethyl ester; Ethyl 4-(4-fluorophenyl)-3-oxobutanoate

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 295.5±20.0 °C at 760 mmHg
• 分子式: C₁₂H₁₃FO₃
• 分子量: 224.228
• 闪点: 128.4±16.7 °C
• 精确质量: 224.084869
• PSA: 43.37000
• LogP: 2.50
• 外观性状: 固体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.493
• 储存条件: 室温， 密封， 干燥

安全

• 危害码 (欧洲): Xn
• 海关编码: 2918300090

合成路线

2033-24-1 459-04-1 ~89% 221121-37-5

文献：DECIPHERA PHARMACEUTICALS, LLC; FLYNN, Daniel, L.; KAUFMAN, Michael, D. Patent: WO2011/139891 A1, 2011 ; Location in patent: Page/Page column 60 ; WO 2011/139891 A1

2033-24-1 64-17-5 459-04-1 ~87% 221121-37-5

文献：Terai, Takuya; Kikuchi, Kazuya; Iwasawa, Shin-Ya; Kawabe, Takao; Hirata, Yasunobu; Urano, Yasuteru; Nagano, Tetsuo Journal of the American Chemical Society, 2006 , vol. 128, # 21 p. 6938 - 6946

623-73-4 18511-62-1 ~98% 221121-37-5

文献：Rao, D. Chandra; Reddy, D. Kumar; Shekhar; Chinababu; Rao, Ch. Bhujanga; Venkateswarlu Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014 , vol. 53, # 3 p. 356 - 358

405-50-5 ~% 221121-37-5

文献：Journal of the American Chemical Society, , vol. 128, # 21 p. 6938 - 6946

1035695-10-3 ~% 221121-37-5

文献：Kyoung, Soon Kim; Zhang, Liping; Schmidt, Robert; Cai, Zhen-Wei; Wei, Donna; Williams, David K.; Lombardo, Louis J.; Trainor, George L.; Xie, Dianlin; Zhang, Yaquan; An, Yongmi; Sack, John S.; Tokarski, John S.; Darienzo, Celia; Kamath, Amrita; Marathe, Punit; Zhang, Yueping; Lippy, Jonathan; Jeyaseelan Sr., Robert; Wautlet, Barri; Henley, Benjamin; Gullo-Brown, Johnni; Manne, Veeraswamy; Hunt, John T.; Fargnoli, Joseph; Borzilleri, Robert M. Journal of Medicinal Chemistry, 2008 , vol. 51, # 17 p. 5330 - 5341

459-04-1 ~% 221121-37-5

文献：Journal of Medicinal Chemistry, , vol. 56, # 9 p. 3593 - 3608

6148-64-7 221121-30-8 ~% 221121-37-5

文献：Journal of Medicinal Chemistry, , vol. 42, # 4 p. 619 - 627

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%