2,4-二甲基-5-醛基-吡咯-3-甲酸乙酯 | 2199-59-9
2,4-二甲基-5-醛基-吡咯-3-甲酸乙酯
Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
2199-59-9
C10H13NO3
195.2151
名称和标识符
MDL |
MFCD00030352 |
InChIKey |
GDISALBEIGGPER-UHFFFAOYSA-N |
Inchi |
1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h5,11H,4H2,1-3H3 |
SMILES |
O(C([H])([H])C([H])([H])[H])C(C1=C(C([H])([H])[H])N([H])C(C([H])=O)=C1C([H])([H])[H])=O |
别名信息
- 中文别名 -
- 2,4-二甲基-5-醛基-吡咯-3-甲酸乙酯
- 2,4-二甲基-5-醛基-1H-吡咯-3-甲酸乙酯
- 舒尼替尼中间体 2
- 5-甲酰基-2,4-二甲基-3-吡咯甲酸乙酯
- 2,4-二甲基-5-甲酰基吡咯-3-甲酸乙酯
- 2,4-二甲基-5-醛基-吡咯-3-甲酸
- 2,4-二甲基-5-醛基吡咯-3-甲酸乙酯
- 2-甲酰基-3,5-二甲基-1H-吡咯-4-甲酸乙酯
- 5-甲酰基-2,4-二甲基-1H-吡咯-3-羧酸乙酯
- Ethyl 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylate 5-甲酰基-2,4-二甲基-3-吡咯甲酸乙酯
- 舒尼4 2,4-二甲基-5-醛基-吡咯-3-甲酸乙酯
- 舒尼替尼
- 苏尼替尼中间体四
- 1H-吡咯-3-甲酸
- 1H-吡咯-3-甲酸,5-醛基-2,4-二甲基-,乙酯
- 2,4-二甲基吡咯-3-羧酸乙酯-5-甲醛
- 3,5-二甲基-2-甲酰基吡咯-4-甲酸乙酯
- 3,5-二甲基-2-醛基吡咯-4-羧酸乙酯
- 舒尼替尼杂质29
- 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
- 英文别名 -
- Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
- 1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
- ETHYL 3,5-DIMETHYL-2-FORMYLPYRROLE-4-CARBOXYLATE
- 2,4-DIMETHYL-3-ETHOXYCARBONYL-5-FORMYLPYRROLE
- 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
- Ethyl 2,4-dimethyl-5-formylpyrrole-3-carboxylate
- Sunitinib Intermediate
- Ethyl 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylate
- BENCYNOATE HYDROCHLORIDE
- 2,4-dimethyl-3-carbethoxy pyrrole-5-carboxaldehyde
- 2,4-dimethyl-3-carbethoxypyrrolyl-5-carbaldehyde
- 4-ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxaldehyde
- Ethyl 2,4-dimethyl-5-formyl
- Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate
- ethyl5-formyl-2,4-dimethyl-lH-pyrrole-3-carboxylate
- 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid Ethyl Ester
- GDISALBEIGGPER-UHFFFAOYSA-N
- NSC13426
- PubChe
- 3,5-Dimethyl-4-(ethoxycarbonyl)-
- ETHYL 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
- Ethyl 2,4-dimethyl-5-formyl-1H-pyrrole-3-carboxylate
- Sunitinib Impurity 29
- 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
- ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
- NSC-13426
- AKOS001132948
- AM20090212
- AC-4254
- Ethyl5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
- 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylicacidethylester
- DTXSID60176417
- SCHEMBL1627475
- NS00027019
- NSC 13426
- FT-0634119
- 2,4-dimethyl-3-ethoxycarbonyl-5-formylpyrrole
- NCGC00335024-01
- A13183
- 2199-59-9
- PS-6285
- AB01327007-02
- EN300-13240
- AB01501
- ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate
- E1051
- 5-formyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester
- MFCD00030352
- BCP04682
- CS-W002153
- SY020518
- Z89284937
- J-521137
物化性质
实验特性
LogP |
1.62070 |
PSA |
59.16000 |
折射率 |
1.556 |
沸点 |
358.4 °C at 760 mmHg |
熔点 |
164.0 to 168.0 deg-C |
闪点 |
170.5 °C |
颜色与性状 |
Yellow to Brown Solid |
最大波长(λmax) |
297(EtOH)(lit.) |
密度 |
1.173 |
计算特性
精确分子量 |
195.09000 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
4 |
同位素质量 |
195.089543 |
重原子数量 |
14 |
复杂度 |
229 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.5 |
互变异构体数量 |
10 |
表面电荷 |
0 |
拓扑分子极性表面积 |
59.2 |
分子量 |
195.21 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
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%
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