39562-27-1

• 常用中文名：3-酮基-2-邻硝亚苄基-丁酰苯胺
• 常用英文名：methyl 2-(o-nitrobenzylidene)-acetoacetate
• CAS号：39562-27-1
• 分子式：C₁₂H₁₁NO₅
• 分子量：249.21900
• 发布时间：2018-12-17 21:24:11
• 更新时间：2026-08-02 23:11:51

名称

• 中文名: 3-酮基-2-邻硝亚苄基-丁酰苯胺
• 英文名: methyl 2-(o-nitrobenzylidene)-acetoacetate
• 中文别名: 硝苯地平杂质C;3-酮基-2-邻硝亚苄基-丁酰苯胺; 硝苯地平杂质C(E/Z混合物); 甲基 2-(2-硝基苯亚甲基)乙酰乙酸酯; 2-(2'-硝基苄亚基)乙酰乙酸甲酯; 硝苯地平欧洲药典杂质 C; 硝苯地平杂质C 标准品; 硝苯地平杂质C; 硝苯地平杂质C(不确定EZ构型的单体); 2-(2-硝基亚苄基)-3-氧代丁酸甲酯; 2-(2-硝基亚苄基)-3-氧代丁酸,甲基酯; 盐酸贝尼地平杂质5; 2-(o-硝基亚苄基)-乙酰乙酸甲酯; 硝苯地平杂质C(Z/E混合物); 双丙戊酸钠杂质3; 硝苯地平杂质; 硝苯地平杂质4
• 英文别名: Divalproex Sodium Impurity 3; 2-Nitrobenzylidenacetessigsaeuremethylester; (Z)-methyl 2-(2-nitrobenzylidene)-3-oxobutanoate; Azilstan medoxomil impurity306; 2-NITROBENZYLIDENEMETHYLESTER; Nifedipine Impurity C as E/Z-Mixture; Methyl (E/Z)-2-(2-Nitrobenzylidene)-3-oxobutanoate; Nifedipine-3; 2-[(2-Nitrophenyl)Methylene]-3-oxo-butanoic Acid Methyl Ester; methyl2-(2-nitrobenzylidene)acetoacetate; Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate; Methyl 2-(2'-nitrobenzylidene)acetoacetate; methyl (Z)-2-(2-nitrosobenzylidene)-3-oxobutanoate; Methyl (E/Z)-2-(2-Nitrobenzylidene); Nifedipine Impurity 4; methyl2-((2-nitrophenyl)methylene)-3-oxobutenoate; 2-Nitrobenzylidenmethylester; Nifedipine Impurity C(E/Z Mixture); 2-((2-nitrophenyl)methylene)-3-oxo-butenoicacimethylester; 2-[(2-nitrophenyl)methylene]-3-oxo-butanoicacimethylester; methyl(o-nitrobenzylidene)acetoacetate; METHYL 2-(O-NITROBENZYLIDENE)-ACETOACETATE; (E)-methyl 2-(2-nitrobenzylidene)-3-oxobutanoate; Butanoic acid, 2-[(2-nitrophenyl)methylene]-3-oxo-, methyl ester; Beninidipine hydrochloride impurity 5

物化性质

• 密度: 1.296g/cm3
• 沸点: 395.9ºC at 760mmHg
• 熔点: 100-101 ºC (ethanol )
• 分子式: C₁₂H₁₁NO₅
• 分子量: 249.21900
• 闪点: 177.2ºC
• 精确质量: 249.06400
• PSA: 89.19000
• LogP: 2.26340
• 折射率: 1.583
• 储存条件: 2-8°C
• 水溶解性: Very slightly soluble (0.5 g/L) (25 ºC)

安全

• 危害码 (欧洲): Xi,N
• 海关编码: 2918300090

合成路线

105-45-3 552-89-6 ~87% 39562-27-1

文献：Adachi; Yamamori; Hiramatsu; Sakai; Sato; Kawakami; Uno; Ueda Chemical and Pharmaceutical Bulletin, 1987 , vol. 35, # 8 p. 3235 - 3252

110-89-4 105-45-3 552-89-6 ~95% 39562-27-1

文献：Bayer Aktiengesellschaft Patent: US4600778 A1, 1986 ;

105-45-3 552-89-6 ~0% 111304-31-5 39562-27-1

文献：David, J. Y.; Hurvois, J. P.; Tallec, A.; Toupet, L. Tetrahedron, 1995 , vol. 51, # 11 p. 3181 - 3196

105-45-3 552-89-6 ~0% 39562-27-1 494198-41-3

文献：Goerlitzer; Trittmacher; Jones Pharmazie, 2002 , vol. 57, # 8 p. 523 - 529

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%