Diethyl benzylmalonate 苄基丙二酸二乙酯
CAS 607-81-8 MFCD00009166
化学结构图
SMILES: CCOC(=O)C(CC1C=CC=CC=1)C(=O)OCC
化学属性
| Mol. Formula | C14H18O4 |
|---|---|
| Mol. Weight | 250.29 |
| Density | 1.064 |
| Boiling Point | 300°C at 760 mmHg |
| Refractive index | 1.4850 to 1.4880 |
| Flash Point | 113°C |
| TSCA | Yes |
| Solubility | 不溶 |
| Appearance | 无色液体。沸点162-163℃（1.33kPa），相对密度1.064，折光率(nD20)1.4860。 |
别名和识别编码
| Chemical Name | Diethyl benzylmalonate |
|---|---|
| CAS Number | 607-81-8 |
| Alfabeta Name | DIETHYLBENZYLMALONATE |
| MDL Number | MFCD00009166 |
| Synonym | Diethyl benzylmalonate {LY} Diethyl benzylmalonate {} {LY} Diethyl benzylmalonate {} {} {LY} Diethyl benzylmalonate {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl benzylmalonate |
| PubChem Substance ID | 87563463 |
| Beilstein Registry Number | 9,869 |
| EC Number | 210-142-7 |
| Chemical Name Translation | 苄基丙二酸二乙酯 |
| Reaxys-RN | 615793 |
| LabNetwork Molecule ID | LN00009167 |
| Canonical SMILES | O=C(OCC)C(C(OCC)=O)CC1=CC=CC=C1 |
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分类
- {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- Aromatics
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
相关文献及参考
- Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
- Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990)
安全信息
GHS Symbol
其他信息
- 海关编码:29173980
- MSDS 信息:Diethyl benzylmalonate(607-81-8).msds
- MOL 文件:607-81-8.mol
- TCI Shanghai:苄基丙二酸二乙酯 Diethyl Benzylmalonate,>;98.0%(GC)(607-81-8)
- Acros Organics:二乙基苄基马来酸酯 Diethyl benzylmalonate, 97%(607-81-8)
- 上游原料:碳酸钾 --> 丙二酸 --> 溴化苄 --> 溴化铵
- 方法一:将氯苄、丙二酸二乙互、K3PO4·7H2O、三丁基苄基溴化铵按配料比投入反应器，于65℃搅拌反应5h。冷却，加入蒸馏水溶解无机盐，分出有机相，以无水碳酸钾干燥。减压蒸馏，收集142-145℃（1.2kPa）馏分，得苄基丙二酸二乙酯。收率82%。
- Sigma Aldrich:607-81-8(sigmaaldrich)
- 下游产品:(乙酰氨基){[2-((双(2-羟乙基)氨基)甲基)-5-硝基苯基]甲基}丙二酸二乙酯 --> (乙酰氨基){[2-((双(2-氯乙基)氨基)甲基)-5-硝基苯基]甲基}丙二酸二乙酯
- 图谱信息:苄基丙二酸二乙酯(607-81-8)红外图谱(IR1) 苄基丙二酸二乙酯(607-81-8)核磁图( 1 HNMR) 苄基丙二酸二乙酯(607-81-8)质谱(MS) 苄基丙二酸二乙酯(607-81-8)核磁图( 13 CNMR) 苄基丙二酸二乙酯(607-81-8)Raman光谱
- 用途一:局部麻醉药普罗帕酮（Propafenone）的中间体。
- 苄基丙二酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0423 苄基丙二酸二乙酯 Diethyl Benzylmalonate 500ML 2760元 2014/06/02 B0423 苄基丙二酸二乙酯 Diethyl Benzylmalonate 25ML 365元 2010/05/25 B22890 苄基丙二酸二乙酯, 97% Diethyl benzylmalonate, 97% 25g 314元
- Alfa Aesar:苄基丙二酸二乙酯,97% Diethyl benzylmalonate, 97%(607-81-8)
