Ethyl Propiolate 丙炔酸乙酯

CAS 623-47-2 MFCD00009184

化学结构图

623-47-2
SMILES: C#CC(=O)OCC

化学属性

Mol. FormulaC5H6O2
Mol. Weight98.10
Boiling Point120°C at 760 mmHg
Refractive index1.4100 to 1.4130
Density0.968
Flash Point23.3°C
TSCANo
Melting Point9°C
SolubilityMISCIBLE
Appearance 无色液体。 溶于乙醇、乙醚和氯仿。
Danger-Level甲类

别名和识别编码

Chemical NameEthyl Propiolate
CAS Number623-47-2
Alfabeta NameETHYLPROPIOLATE
MDL NumberMFCD00009184
Synonym Ethyl propiolate {LY} Ethyl propiolate {} {LY} Ethyl propiolate {} {} {LY} Ethyl propiolate {} {} {} {LY} Ethyl propiolate {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl propiolate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87574710
EC Number210-795-8
Beilstein Registry Number878250
Reaxys-RN878250
Merck Number3846
Chemical Name Translation丙炔酸乙酯
LabNetwork Molecule IDLN00007143
InChIInChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3
Canonical SMILESC#CC(OCC)=O
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 用于合成乙基 (Z)-2,3-二溴丙烯酸酯。

相关文献及参考

  • Merck: 14,3846 Beilstein:2,477
  • Short: III/38B
  • n-BuLi gives the alkynyllithium derivative, stable at low temperatures: J. Org. Chem., 45, 28 (1980). For use in a sequence for the synthesis of butenolides, see: J. Am. Chem. Soc., 101, 1544 (1979):
  • Conjugate addition of allylic alcohols in the presence of trimethylamine proceeds via an intermediate betaine and leads to allyl vinyl ethers which undergo the Claisen rearrangement to give δ-unsaturated aldehydes: J. Org. Chem., 48, 5406 (1983); Org. Synth. Coll., 8, 536 (1993):
  • Merck: 14,3846
  • Regio- and stereospecific hydrohalogenation of propiolic acid derivatives is illustrated by the conversion of ethyl propiolate to (Z)-3-bromo-2-propenoate in the presence of LiBr + acetic acid in acetonitrile: J. Org. Chem., 57, 709 (1992); Org. Synth. Coll., 9, 412 (1998).
  • 2. Helv. Chim. Acta 89 , 2918, (2006)

安全信息

Warnings KEEP COLD, LACHRYMATOR, TOXIC, FLAMMABLE
GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • 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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 3272 UN 3272 3/PG 3
Packing GroupIII
Hazard Class3
Storage condition -20°C {LY} -20°C 2-8°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 丙炔酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 P0529 丙炔酸乙酯 Ethyl Propiolate 5ML 416元 2011/04/16 P0529 丙炔酸乙酯 Ethyl Propiolate 25ML 1320元 2010/06/21 118900250 丙炔酸乙酯 Ethyl propiolate 99% 25 GR 1508元
  • 海关编码:29161980
  • 用途一:用作有机合成试剂
  • 下游产品:佛手苷内酯 --> 1-甲基吡唑-4-甲酸 --> 3-羟基-2-噻吩甲酸甲酯 --> 3-甲基异恶唑-4-羧酸 --> 吡唑并[1,5-a]吡啶-3-羧酸 --> 3-(N,N-二甲基氨基)丙烯酸乙酯
  • MOL 文件:623-47-2.mol
  • 和水混溶，溶于大多数有机溶剂。
  • Sigma Aldrich:623-47-2(sigmaaldrich)
  • Acros Organics:丙炔酸乙酯 Ethyl propiolate, 99%(623-47-2)
  • 用途二:用于合成乙基 (Z)-2,3-二溴丙烯酸酯。
  • Hazard Note:Irritant
  • MSDS 信息:Ethyl propiolate(623-47-2).msds
  • 图谱信息:丙炔酸乙酯(623-47-2)红外图谱(IR1) 丙炔酸乙酯(623-47-2)质谱(MS)
  • 丙炔酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0529 丙炔酸乙酯 Ethyl Propiolate 5ML 230元 2014/06/02 P0529 丙炔酸乙酯 Ethyl Propiolate 25ML 820元 2010/06/21 118900250 丙炔酸乙酯 Ethyl propiolate 99% 25 GR 1508元
  • 检测方法:GC,NMR
  • TCI Shanghai:丙炔酸乙酯 Ethyl Propiolate,>;98.0%(GC)(623-47-2)
  • Alfa Aesar:丙酸乙酯,99% Ethyl propiolate, 99%(623-47-2)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Conjugation Chemistry: Azides, Alkynes 共轭化学 (叠氮化物，炔烃等)
  4. Functionalized Alkynes 功能性炔烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Acetylenes 炔烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63