Diethyl Ketomalonate 酮基丙二酸二乙酯
CAS 609-09-6 MFCD00009121
化学结构图
SMILES: CCOC(=O)C(=O)C(=O)OCC
化学属性
| Mol. Formula | C7H10O5 |
|---|---|
| Mol. Weight | 174 |
| Boiling Point | 210°C(lit.) |
| TSCA | T |
| Density | 1.142 g/mL at 25 °C(lit.) |
| Refractive index | 1.4140 to 1.4200 |
| Flash Point | >110°(230°F) |
| Melting Point | ca -70° |
| Appearance | 黄色液体。沸点208-210℃，相对密度1.142，折光率1.4150。不溶于水，溶于醇、醚。 liquid |
别名和识别编码
| Chemical Name | Diethyl Ketomalonate |
|---|---|
| CAS Number | 609-09-6 |
| Alfabeta Name | DIETHYLKETOMALONATE |
| MDL Number | MFCD00009121 |
| Synonym | 2-Oxopropanedioic acid diethyl 二乙基双乙烯酯 DIETHYL MESOXYLATE 2-氧代丙二酸二乙酯 二乙基双乙烯酯 2-氧丙二酸二乙酯 DIETHYL MESOXALATE Diethyl mesoxalate oxo-propanedioicacidiethylester DIETHYL KETOMALONATE DIETHYL OXOMALONATE 中草酸二乙酯 Diethyl ketomalonate, Ketomalonic acid diethyl ester Diethyl ketomalonate, (Diethyl mesoxalate 羰基丙二酸二乙酯 Diethyl mesoxalate, Ketomalonic acid diethyl ester 2-Oxomalonic acid diethyl ester Diethylketomalonate,95% DiethylKetomaloante KETOMALONIC ACID DIETHYL ESTER Ethyl mesoxalate Diethyl ketomalonate 97% Diethylmesoxalate=Diethyloxomalonate 2-氧代丙二酸二乙酯 MESOXALIC ACID DIETHYL ESTER Diethyl 2-oxomalonate 酮基丙二酸二乙酯 Diethyl mesoxalate~Diethyl oxomalonate~Oxopropanedioic acid diethyl ester ETHYL OXOMALONATE |
| Beilstein Registry Number | 3(3)1356 |
| PubChem Substance ID | 69105 |
| EC Number | 210-176-2 |
| Reaxys-RN | 971873 |
| Merck Number | 5913 |
| Chemical Name Translation | 酮基丙二酸二乙酯 |
| LabNetwork Molecule ID | LN00116363 |
| InChI | InChI=1S/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3 |
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分类
- {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- Thus, the reagent could be regarded as a CO2 equivalent in both the above sequences.
- Reacts with activated arenes under Friedel-Crafts conditions, or with aryllithium or Grignard derivatives, to give aryl hydroxymalonates, hydrolysis and decarboxylation of which gives substituted mandelic acids: Org. Synth. Coll., 3, 326 (1955). Alternatively, they may be transformed reductively to arylmalonates and hence to ester enolates: J. Org. Chem., 47, 4692 (1982).
- The
- For asymmetric Diels-Alder reaction, see: J. Chem. Soc., Chem. Commun., 676 (1987). For addition to aza-dienes, see: Tetrahedron Lett, 30, 2685 (1989).
- Undergoes the Baylis-Hillman reaction in which a carbanionic species, generated by the reversible addition of 1,4-Diazabicyclo[2.2.2]octane, A14003, to a Michael acceptor, adds to the carbonyl group: Synth. Commun., 19, 2461 (1989).
- Ene-addition to alkenes occurs at the less-substituted carbon. Oxidative degradation leads to ß-unsaturated carboxylic acids: J. Am. Chem. Soc., 102, 2473 (1980); 106, 3797 (1984):
- The carbonyl group behaves as a heterodienophile towards simple dienes. Curtius degradation of the gem-diester to carbonyl completes a synthesis of ß-unsaturated δ-lactones: Rocz. Chem., 38, 707 (1964); J. Am. Chem. Soc., 97, 6892 (1975); J. Org. Chem., 42, 4095 (1977):
安全信息
Warnings
IRRITANT, MOISTURE SENSITIVE
WGK Germany3
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Storage condition
Moisture Sensitive
Safety Statements
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Hazard Codes
Xi
其他信息
- Sigma Aldrich:609-09-6(sigmaaldrich)
- 酮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 M0866 酮基丙二酸二乙酯 Diethyl Mesoxalate 5G 701元 2010/06/21 114430050 酮基丙二酸二乙酯 Diethyl ketomalonate 95% 5 GR 483元 2010/06/21 114430250 酮基丙二酸二乙酯 Diethyl ketomalonate 95% 25 GR 1802元
- F:21
- color:green-yellow
- 用途一:用于有机合成。
- MOL 文件:609-09-6.mol
- 敏感性:Moisture Sensitive
- TSCA:T
- 方法一:将三氧化二氮气体通入冷却的丙二酸二乙酯中，反应物转为绿色，通气完毕，使反应液渐渐升温，至室温后保持2d以上。减压蒸馏，收集103-108℃（2.0kPa）馏分，得酮基丙二酸二乙酯。收率74%-76%。
- Hazard Note:Irritant
- Alfa Aesar:2-氧代丙二酸二乙酯,95% Diethyl ketomalonate, 95%(609-09-6)
- 图谱信息:酮基丙二酸二乙酯(609-09-6)核磁图( 13 CNMR) 酮基丙二酸二乙酯(609-09-6)质谱(MS) 酮基丙二酸二乙酯(609-09-6)红外图谱(IR1) 酮基丙二酸二乙酯(609-09-6)核磁图( 1 HNMR)
- Acros Organics:2-氧丙二酸二乙酯 Diethyl ketomalonate, 97%(609-09-6)
- 上游原料:丙二酸 --> 二乙酯
- TCI Shanghai:酮基丙二酸二乙酯 Diethyl Mesoxalate,>;94.0%(GC)(609-09-6)
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