2199-59-9

• 常用中文名：2,4-二甲基-5-醛基-1H-吡咯-3-甲酸乙酯
• 常用英文名：Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
• CAS号：2199-59-9
• 分子式：C₁₀H₁₃NO₃
• 分子量：195.215
• 发布时间：2018-08-29 09:36:23
• 更新时间：2026-07-04 10:40:59

名称

• 中文名: 2,4-二甲基-5-醛基-吡咯-3-甲酸乙酯
• 英文名: Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
• 中文别名: 舒尼替尼杂质29; 1H-吡咯-3-甲酸,5-醛基-2,4-二甲基-,乙酯; 3,5-二甲基-2-甲酰基吡咯-4-甲酸乙酯; 5-甲酰基-2,4-二甲基-1H-吡咯-3-羧酸乙酯; 苹果酸舒尼替尼杂质SM1-0; 2,4-二甲基-5-甲酰基吡咯-3-甲酸乙酯; 2-甲酰基-3,5-二甲基-1H-吡咯-4-甲酸乙酯; 舒尼替尼中间体 2; 2,4-二甲基-5-醛基-1H-吡咯-3-羧酸乙酯; 5-甲酰基-2,4-二甲基-1H-吡咯-3-甲酸乙酯; 舒尼4 2,4-二甲基-5-醛基-吡咯-3-甲酸乙酯; 5-甲酰基-2,4-二甲基-3-吡咯甲酸乙酯; 舒尼4; 1H-吡咯-3-甲酸, 5-醛基-2,4-二甲基-, 乙酯; 1H-吡咯-3-甲酸
• 英文别名: 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CBOXYLIC ACID ETHYL ESTER; 2,4-dimethyl-3-carbethoxy pyrrole-5-carboxaldehyde; 3,5-Dimethyl-4-(ethoxycbonyl); Sunitinib Impurity 29; ethyl5-formyl-2,4-dimethyl-lH-pyrrole-3-carboxylate; MFCD00030352; Ethyl 2,4-dimethyl-5-formylpyrrole-3-carboxylate; Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-cboxylate 5-Formyl-2,4-dimethyl-1H-pyrrole-3-cboxylic acid ethyl ester; ETHYL 3,5-DIMETHYL-2-FORMYLPYRROLE-4-CBOXYLATE; Ethyl 5-ForMyl-2,4-diMethylpyrrole-3-cboxylate; Ethyl5-formyl-2,4-dimethylpyrrole-3-cboxylate; Ethyl 5-Formyl-2,4-dimethyl-3-pyrrolecboxylate; 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; Ethyl 2,4-dimethyl-5-formyl-1H-pyrrole-3-cboxylate; 1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester; 3,5-Dimethyl-4-(ethoxycbonyl)-1H-pyrrole-2-cboxaldehyde, 2,4-Dimethyl-3-(ethoxycbonyl)-5-formyl-1H-pyrrole; Ethyl5-Formyl-2,4-dimethyl-3-pyrrolecboxylate>; ETHYL 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CBOXYLATE; Ethyl 2,4-dimethyl-5-formylpyrrole-3-cboxylate; 2,4-dimethyl-3-ethoxycarbonyl-5-formylpyrrole; Ethyl2,4-dimethyl-5-formyl-1H-pyrrole-3-cboxylate; Ethyl 2,4- dimethyl -5- aldehyde -1H- pyrrole -3- cboxylate; ethyl 3,5-dimethyl-2-formylpyrrole-4-carboxylate; ethyl (5-formyl-2,4-dimethyl-1H-pyrrole)-3-cboxylate, 5-formyl-2,4-dimethyl-1H-pyrrole-3-cboxylic acid ethyl ester, 4-ethoxycbonyl-3,5-dimethylpyrrole-2-cboxaldehyde, 2,4-dimethyl-3-ethoxycbonyl-5-formylpyrrole, ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-cboxylate, 2,4-dimethyl-5-formyl-1Η-pyrrole-3-cboxylate, 2,4-dimethyl-3-cbethoxy pyrrole-5-cboxaldehyde; 1H-Pyrrole-3-cboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester; 5-Formyl-2,4-dimethyl-1H-pyrrole-3-cboxylic acid ethyl este; 3,5-Dimethyl-4-(ethoxycbonyl)-1H-pyrrole-2-cboxaldehyde; ETHYL5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CBOXYLATE; Sunitinib Impurity 38; 4-ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxaldehyde; 5-formyl-2,4-dimethyl-1H-Pyrrole-3-cboxylic acid ethyl ester (9CI ACI); 1H-Pyrrole-3-cboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester (9CI, ACI); Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate; 5-Formyl-2,4-dimethyl-3-pyrrolecboxylic Acid Ethyl Ester; 2,4-dimethyl-3-carbethoxypyrrolyl-5-carbaldehyde; 2,4-DIMETHYL-3-ETHOXYCBONYL-5-FORMYLPYRROLE; Ethyl 5-formyl-2,4-dimethyl-1H-pyrrol-3-cboxylate

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 358.4±42.0 °C at 760 mmHg
• 熔点: 166 °C
• 分子式: C₁₀H₁₃NO₃
• 分子量: 195.215
• 闪点: 170.5±27.9 °C
• 精确质量: 195.089539
• PSA: 59.16000
• LogP: 2.77
• 外观性状: 固体;White to Orange to Green powder to crystal
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.556
• 储存条件: 存放于惰性气体之中;避免空气
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:10

  6.拓扑分子极性表面积:59.2

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:229

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

安全

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2933990090

合成路线

上下游产品

上游产品  10
2199-51-1 68-12-2 86770-31-2 122-51-0
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海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%