110448-29-8
中文名称
ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
英文名称
ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS
110448-29-8
分子式
C14H15N3O5
分子量
305.29
MOL 文件
110448-29-8.mol
110448-29-8 结构式
基本信息
中文别名
6-甲基-4-(3-硝基苯基)-2-氧代-1,2,3,4-四氢嘧啶-5-羧酸乙酯 英文别名
NifetepimineNifetepimine >=95% (HPLC)
ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(3-nitrophenyl)-2-oxo-, ethyl ester
物理化学性质
熔点226-227.5 °C
沸点444.3±45.0 °C(Predicted)
密度1.302±0.06 g/cm3(Predicted)
储存条件2-8°C
溶解度DMSO: 10mg/mL, clear
酸度系数(pKa)10.86±0.70(Predicted)
形态powder
颜色white to beige
InChI1S/C14H15N3O5/c1-3-22-13(18)11-8(2)15-14(19)16-12(11)9-5-4-6-10(7-9)17(20)21/h4-7,12H,3H2,1-2H3,(H2,15,16,19)
InChIKeyPPBNQKLDXXHPMH-UHFFFAOYSA-N
SMILESO=C(OCC)C1=C(C)NC(NC1C2=CC([N+]([O-])=O)=CC=C2)=O