Ethyl hydrogen malonate 丙二酸单乙酯
CAS 1071-46-1 MFCD00020490
化学结构图
SMILES: CCOC(=O)CC(=O)O
化学属性
| Mol. Formula | C5H8O4 |
|---|---|
| Mol. Weight | 132.11 |
| Refractive index | 1.4270 to 1.4310 |
| Boiling Point | 106.5°C at 3 mmHg |
| Density | 1.119 |
| Flash Point | 113°C(lit.) |
| TSCA | No |
| Appearance | 丙二酸单乙酯(1071-46-1)为无色液体, 密度 1.119 ,沸点 106 ºC (3 mmHg) ,折射率 1.435 ,闪点 >;110 ºC |
| Melting Point | 13.2°C |
别名和识别编码
| Chemical Name | Ethyl hydrogen malonate |
|---|---|
| Synonym | 3-Ethoxy-3-oxopropanoic acid {LY} 3-Ethoxy-3-oxopropanoic acid {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Ethoxy-3-oxopropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| CAS Number | 1071-46-1 |
| PubChem Substance ID | 70615 |
| EC Number | 213-992-7 |
| MDL Number | MFCD00020490 |
| Beilstein Registry Number | 1758845 |
| Chemical Name Translation | 丙二酸单乙酯 |
| Reaxys-RN | 1758845 |
| InChIKey | HGINADPHJQTSKN-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00221026 |
| InChI | InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) |
| Canonical SMILES | O=C(OCC)CC(O)=O |
信息真实价格透明
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信息真实价格透明
资金保障
专业采购外包团队在线服务
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分类
- {SA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- 1. Jeong, Y.-C.; et al. Org. Biomolecular Chem. 9 , 6663, (2011)
- 2. Lu, J.; Toy, P. H. Synlett , 1723, (2011)
- 3. Chen, Y.; et al., A biomolecule-compatible visible-light-induced azide reduction from a DNA-encoded reaction-discovery system Nature Chemistry 3 , 146-153, (2011) 摘要
- 4. Jeong, Y.-C.; Moloney, M. G. J. Org. Chem. 76 , 1342, (2011)
- 5. Thompson, M. J.; et al. ChemMedChem 6 , 115, (2011)
- 6. Zhang, S.-J.; Hu, W.-X. Synth. Commun. 40 , 3093, (2010)
- Beil. 2 ,II,516
- Reaction with alkyl chloroformates results in decarboxylation of the mixed anhydride in situ, providing a route to mixed ethyl alkyl malonates in high yield under very mild conditions: Tetrahedron Lett., 26, 1573 (1985).
- Half esters of malonic acid react with ɑß-enals in pyridine/ DMAP to give ɑß δ-dienoic esters with good (E)-selectivity: Synthesis: 534 (1988).
- The O,ɑ-dilithio-derivative, formed with n-BuLi in THF, can be acylated with acid chlorides to give, on acidic work-up (in situ decarboxylation), ß-ketoesters directly in high yield: J. Org. Chem., 44, 310 (1979); Org. Synth. Coll., 7, 213 (1990). Similarly, alkylation of the dilithio-derivative provides a direct route to esters of substituted acetic acids: J. Org. Chem., 40, 2556 (1975).
- Carbodiimide coupling with polymer-bound ɑ-amino acids has been used in the solid-phase synthesis of substituted tetramic acids; J. Org. Chem., 63, 4808 (1998).
- See also Ethyl potassium malonate, A10720.
安全信息
GHS Symbol
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P352
- P304+P340
- P305+P351+P338
- P305+P351+P338+P337+P313
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P337+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S37 Wear suitable gloves 戴适当手套；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- 用途一:医药中间体。
- Sigma Aldrich:1071-46-1(sigmaaldrich)
- Alfa Aesar:丙二酸氢乙酯,96% Ethyl hydrogen malonate, 96%(1071-46-1)
- 丙二酸单乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 44692 Ethyl hydrogen malonate, 90+% 5g 249元 2010/05/25 44692 Ethyl hydrogen malonate, 90+% 500g 13174元 2010/05/25 44692 Ethyl hydrogen malonate, 90+% 25g 977元
- 下游产品:6-苄基-2-硫脲嘧啶 --> 芥子酸 --> 氨来诺
- MOL 文件:1071-46-1.mol
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