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CAS: 615-79-2
产品编号: H83336
MDL: MFCD00009124
品牌: INFI

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(a) DMF-DMA, TsOH, 130 °C, 15 min microwave；(b) 2-bromopyridine-6-hydrazine or 3-bromophenyl hydrazine, DIPEA, EtOH;

(c) 3-bromo-N,N-dimethylbenzamide, Pd(PPh3)4, Na2CO3, dioxane/H2O, 100 °C, 1 h then NaOH or LiOH.

图一Journal of Medicinal Chemistry , 2021 , 64  , 15949-15972 .

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Chemical Name Ethyl 2,4-dioxopentanoate
CAS Number 615-79-2
Alfabeta Name ETHYLDIOXOPENTANOATE 24-,
MDL Number MFCD00009124
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2,4
Beilstein Registry Number 607062
PubChem Substance ID 69208
EC Number 210-447-5
Chemical Name Translation 乙酰丙酮酸乙酯
InChIKey OYQVQWIASIXXRT-UHFFFAOYSA-N
LabNetwork Molecule ID LN00009536
Reaxys-RN 607062
InChI InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
Canonical SMILES CC(CC(C(OCC)=O)=O)=O
GHS Symbol
Warnings IRRITANT
WGK Germany 3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store a
    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 -
    • {SA}
    • 1. Bioorg. Med. Chem. Lett. 16 , 3755, (2006) 摘要
    • {SA}
    • {SA} 2. Bioorg. Med. Chem. Lett. 16 , 4767, (2006) 摘要
    • {SA}
    • {SA} Beil. 3 ,IV,1777
    • {SA}
    • 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
    • {uni_hamburg} 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.
    • {uni_hamburg} 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
      • 615-79-2 H83336 Ethyl 2,4-dioxopentanoate 乙酰丙酮酸乙酯
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      Mol. Formula C7H10O4
      Mol. Weight 158.15
      Density 1.126
      Boiling Point 214.7°C at 760 mmHg
      Melting Point 16-18°C
      Refractive index 1.4720 to 1.4760
      Flash Point 113°C
      TSCA No
      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 -

      *以上化合物性质及应用等信息仅供参考