Ethyl hydrogen malonate 丙二酸单乙酯

CAS 1071-46-1 MFCD00020490

化学结构图

1071-46-1
SMILES: CCOC(=O)CC(=O)O

化学属性

Mol. FormulaC5H8O4
Mol. Weight132.11
Refractive index1.4270 to 1.4310
Boiling Point106.5°C at 3 mmHg
Density1.119
Flash Point113°C(lit.)
TSCANo
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 Point13.2°C

别名和识别编码

Chemical NameEthyl 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 Number1071-46-1
PubChem Substance ID70615
EC Number213-992-7
MDL NumberMFCD00020490
Beilstein Registry Number1758845
Chemical Name Translation丙二酸单乙酯
Reaxys-RN1758845
InChIKeyHGINADPHJQTSKN-UHFFFAOYSA-N
LabNetwork Molecule IDLN00221026
InChIInChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
Canonical SMILESO=C(OCC)CC(O)=O
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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
WGK Germany3
Hazard Codes Xi
Hazard statements
  • 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
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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.....
Signal word Warning
Safety Statements
  • 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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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