Ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate 3,4-二甲氧基苯甲酰乙酸乙酯
CAS 4687-37-0 MFCD03424826
化学结构图
SMILES: CCOC(=O)CC(=O)c1ccc(OC)c(OC)c1
化学属性
| Mol. Formula | C13H16O5 |
|---|---|
| Mol. Weight | 252.26 |
| Melting Point | 37-41°C |
| Flash Point | >110°C |
| Boiling Point | 350.9°C at 760 mmHg |
别名和识别编码
| Chemical Name | Ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate |
|---|---|
| Synonym | Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxo-3-(3,4-di |
| MDL Number | MFCD03424826 |
| CAS Number | 4687-37-0 |
| PubChem Substance ID | 2758465 |
| Chemical Name Translation | 3,4-二甲氧基苯甲酰乙酸乙酯 |
| LabNetwork Molecule ID | LN00338729 |
| InChI | InChI=1S/C13H16O5/c1-4-18-13(15)8-10(14)9-5-6-11(16-2)12(7-9)17-3/h5-7H,4,8H2,1-3H3 |
| Canonical SMILES | O=C(OCC)CC(C1=CC=C(OC)C(OC)=C1)=O |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; ketone; ether; 1fragment
- {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- R22 Harmful if swallowed 吞咽有害
其他信息
- Sigma Aldrich:4687-37-0(sigmaaldrich)
- MOL 文件:4687-37-0.mol
