CAS: 3950-10-5; Ethyl 4-Hydroxy-2-Methyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylate

• 英文名称Ethyl 4-Hydroxy-2-Methyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylate
• 中文名称4-羟基-2-甲基-6-氧代-1,6-二氢吡啶-3-羧酸乙酯
• IUPAC名称ethyl 4-hydroxy-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
• 其它别名1,6-Dihydro-4-Hydroxy-2-Methyl-6-(Oxo)Nicotinic Acid Ethyl Ester; 1,6-Dihydro-4-Hydroxy-2-Methyl-6-Oxo-3-Pyridinecarboxylic Acid Ethyl Ester; Ethyl 4-Hydroxy-2-Methyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylate; 4-Hydroxy-6-Oxo-1,6-Dihydropyridine-3-Carboxylate; Ethyl 4-Hydroxy-2-Methyl-6-Oxo-1H-Pyridine-3-Carboxylate; 5-Ethoxycarbonyl-4-Hydroxy-6-Methyl-Pyridin-2(1H)-On; Ethyl 1,2-Dihydro-4-Hydroxy-2-Methyl-6-Oxonickeltinate; 3-Pyridinecarboxylic Acid, 1,6-Dihydro-4-Hydroxy-2-Methyl-6-Oxo-, Ethyl Ester
• CAS编号3950-10-5
• MFCD编号:MFCD05666022
• 分子式:C9H11NO4分子量:197.19
• 产品CID: 2263302
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• InChIKey: WQPWRTUPFHAREU-UHFFFAOYSA-N
• InChI=1S/C9H11NO4/c1-3-14-9(13)8-5(2)10-7(12)4-6(8)11/h4H,3H2,1-2H3,(H2,10,11,12)
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数2.0

相似化合物

物理性质

• 熔点228-229 °C
• 沸点343.8±42.0 °C(预测)
• 密度1.308±0.06 g/cm3(预测)
• pKa:4.50±1.00(预测)
• PSA:79.39
• LogP:0.56562
• 储存条件2-8°C

MSDS等安全信息

• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

合成工艺路线路线简述

海关参考信息

• 2912110000-甲醛
  2915110000-甲酸
  2933310010-吡啶
  2901100000-饱和无环烃
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管