2-吡咯甲酸甲酯 | 1193-62-0
2-吡咯甲酸甲酯
Methyl 1H-pyrrole-2-carboxylate
1193-62-0
C6H7NO2
125.125281572342
名称和标识符
MDL |
MFCD00817048 |
InChIKey |
VONGYFFEWFJHNP-UHFFFAOYSA-N |
Inchi |
InChI=1S/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H3 |
SMILES |
O=C(C1=CC=CN1)OC |
别名信息
- 中文别名 -
- 2-吡咯甲酸甲酯
- 吡咯-2-羧酸甲酯
- 1H-吡咯-2-羧酸甲酯
- 2-吡咯羧酸甲酯
- 甲基 1H-吡咯-2-甲酸酯
- 2-吡咯基羧酸甲酯
- 甲基吡咯-2-羧酸酯
- 吡咯-2-甲酸甲酯
- 2-吡咯甲酸甲酯,METHYL 1H-PYRROLE-2-CARBOXYLATE
- Methyl Pyrrole-2-carboxylate 吡咯-2-羧酸甲酯
- 柠檬酸三钠水合物
- 英文别名 -
- Methyl 1H-pyrrole-2-carboxylate
- 1H-Pyrrole-2-carboxylic acid,methyl ester
- METHYL 2-PYRROLECARBOXYLATE
- RARECHEM AL BF 0174
- Methyl 1H-pyrrol-2-carboxylate
- Pyrrole-2-carboxylic Acid Methyl Ester
- 2 - pyrrole Methyl forMate
- Methyl Pyrrole-2-carboxylate
- methyl 1H-pyrrole-2-carboxylate
- methyl 2-pyrrole carboxylate
- methyl-2-pyrrolecarboxylate
- SCHEMBL520445
- SY001201
- Methyl pyrrole-2-carboxylate
- 2-(formic acid methyleester)pyrrole
- 8R-0284
- BB 0267781
- methyl 1h-pyrrolecarboxylate
- NSC 48131
- 1H-pyrrole-2-carboxylic acid methyl ester
- AKOS005071362
- CS-W013518
- FT-0633453
- InChI=1/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H
- NSC-48131
- methyl 1H-pyrrole-2-carboxlate
- J-012038
- methyl pyrrole-2 carboxylate
- 1H-pyrrole-2-carboxylic acid, methyl ester
- AC-7541
- Methyl1H-pyrrole-2-carboxylate
- NS00114055
- Z98449444
- Q27257004
- EN300-98138
- Methyl 2-pyrrolecarboxylate, 97%
- HY-W012802
- SB63951
- NSC48131
- 1193-62-0
- Methyl 1 H-pyrrole-2-carboxylate
- AM20080137
- methyl 1H-pyrrole -2-caboxylate
- methyl pyrrole -2-carboxylate
- MFCD00817048
- M2160
- CHEBI:194949
- methyl-2-pyrrole carboxylate
- methylpyrrole-2-carboxylate
- 3BEG2CK3LU
- W-205044
- UNII-3BEG2CK3LU
- DTXSID50152407
- Methyl 1H-pyrrole-2-carboxylate #
- Methyl 2-pyrrolecarboxylate
- BCP29215
- CL2801
物化性质
实验特性
LogP |
0.80130 |
PSA |
42.09000 |
折射率 |
1.526 |
水溶性 |
Soluble in water. |
沸点 |
230.3°Cat760mmHg |
熔点 |
71.0 to 75.0 deg-C |
闪点 |
93.1℃ |
颜色与性状 |
Yellow to Brown Solid |
溶解性 |
未确定 |
密度 |
1.184 |
计算特性
精确分子量 |
125.04800 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
2 |
同位素质量 |
125.048 |
重原子数量 |
9 |
复杂度 |
114 |
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) |
无 |
互变异构体数量 |
4 |
表面电荷 |
0 |
拓扑分子极性表面积 |
42.1A^2 |
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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相关文献
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An isoxazole strategy for the synthesis of alkyl 5-amino-4-cyano-1H-pyrrole-2-carboxylates – versatile building blocks for assembling pyrrolo-fused heterocycles
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Deep eutectic solvent: a simple, environmentally benign reaction media for regioselective synthesis of 2,3,4-trisubstituted 1H-pyrroles
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8.
72. The halogenation of methyl pyrrole-2-carboxylate and of some related pyrroles
P. Hodge,R. W. Rickards J. Chem. Soc. 1965 459
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Design, synthesis and pharmacological evaluation of active pyrrole based, nonpeptidic analogues of neurotensin(8-13)
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参考资料
Reaxys RN |
111149 |
Beilstein |
22(5)1,381 |
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