Ethyl 2,4-dioxopentanoate 乙酰丙酮酸乙酯

CAS 615-79-2 MFCD00009124

化学结构图

615-79-2
SMILES: CCOC(=O)C(=O)CC(C)=O

化学属性

Mol. FormulaC7H10O4
Mol. Weight158.15
Density1.126
Boiling Point214.7°C at 760 mmHg
Melting Point16-18°C
Refractive index1.4720 to 1.4760
Flash Point113°C
TSCANo
Appearance 无色液体。熔点16-18℃，沸点101-103℃（1.6kPa），相对密度1.126，折光率1.4730（20℃）。溶于醇、醚，不溶于水。
Danger-Level-
pH-:-
Redox-

别名和识别编码

Chemical NameEthyl 2,4-dioxopentanoate
CAS Number615-79-2
Alfabeta NameETHYLDIOXOPENTANOATE 24-,
MDL NumberMFCD00009124
Synonym Ethyl 2,4-dioxovalerate {LY} Ethyl 2,4-dioxovalerate {} {LY} Ethyl 2,4-dioxovalerate {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,4-dioxovalerate {} {} {} {}
Beilstein Registry Number607062
PubChem Substance ID69208
EC Number210-447-5
Chemical Name Translation乙酰丙酮酸乙酯
InChIKeyOYQVQWIASIXXRT-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009536
Reaxys-RN607062
InChIInChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
Canonical SMILESCC(CC(C(OCC)=O)=O)=O
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分类

  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; ketone; 1fragment
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • 1. Bioorg. Med. Chem. Lett. 16 , 3755, (2006) 摘要
  • 2. Bioorg. Med. Chem. Lett. 16 , 4767, (2006) 摘要
  • Beil. 3 ,IV,1777
  • Aldrich MSDS 1 , 901:A / Corp MSDS 1 (1), 1601:C / FT-IR 1 (1), 686:B / FT-IR 2 (1), 1157:D / NMR-Reference 2 (1), 578:B / RegBook 1 (1), 789:O / Structure Index 1 , 123:B:7 / Vapor Phase 3 , 742:B
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • 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) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
GHS Symbol
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
Restrict -

其他信息

  • Sigma Aldrich:615-79-2(sigmaaldrich)
  • Alfa Aesar:丙酮草酸乙酯,98% Ethyl acetopyruvate, 98%(615-79-2)
  • 方法一:草酸二酯与丙酮缩合（克氏反应）而得。将甲醇钠于40-45℃滴入草酸二乙酯及丙酮中，保温1h，冷却下滴加浓硫酸至pH=3.5。用苯提取反应物，提取液蒸除苯以后进行减压蒸馏。收集130-132℃（4.93kPa）馏分，得产品乙酰丙酮酸乙酯。
  • 下游产品:3-氨基-5-甲基吡唑 --> 5-甲基-3-异噁唑羧酸乙酯 --> 2-氯-6-甲基吡啶-4-羧酸
  • 乙酰丙酮酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 214010250 乙酰丙酮酸乙酯 Ethyl 2,4-dioxovalerate 98% 25 GR 1790元 2010/06/21 214010050 乙酰丙酮酸乙酯 Ethyl 2,4-dioxovalerate 98% 5 GR 518元 2010/05/25 A13808 丙酮草酸乙酯, 98% Ethyl acetopyruvate, 98% 25g 1722元
  • 海关编码:29183000
  • 图谱信息:乙酰丙酮酸乙酯(615-79-2)红外图谱(IR1) 乙酰丙酮酸乙酯(615-79-2)质谱(MS) 乙酰丙酮酸乙酯(615-79-2)核磁图( 1 HNMR)
  • 用途一:医药磺安甲基异噁唑的中间体。
  • MOL 文件:615-79-2.mol
  • MSDS 信息:Ethyl 2,4-dioxovalerate(615-79-2).msds
  • Acros Organics:2,4-二酮戊酸乙酯 Ethyl 2,4-dioxovalerate, 98%(615-79-2)
  • 上游原料:草酸二乙酯

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Ketones - Chemical Class
  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. C6 to C7 - Esters
  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. C2 to C5
  1. Acyl halide
  1. Acyl halide