Ethyl 2,4-dioxopentanoate 乙酰丙酮酸乙酯

规格: 98%
CAS: 615-79-2
产品编号: H83336
MDL: MFCD00009124
品牌: INFI

1.3-二酮系列产品

杂环化合物是有机化合物中数量最庞大的一个类别,约占总数的三分之二以上,是多种化学类药物的合成砌块,除此杂环化合物之外还应用于纳米材料、超导材料、农用化学品等的合成。而1, 3-二酮类化合物作为杂环化合物一类重要的合成子, 它的α位活泼亚甲基可通过手性催化剂、金属催化剂或廉价易得的碱,催化形成新的碳-碳键、碳-杂键等,从而高效合成一系列杂环化合物。例如:1,3-二酮化合物经过一系列串联反应,合成吡唑羧酸类杂环化合物[1],这类分子具有KEAP1抑制活性,可以破坏NRF2和KEAP1蛋白之间相互作用,治疗慢性氧化应激疾病。

(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.

研峰科技拥有完整配套的研发生产设备,通过前期大量的工艺研究、公司规范有效的管控流程及智能管理系统,实现了1.3-二酮系列产品稳定量产,质量稳定,满足客户要求,还可以根据客户的需要进行定制。详细产品情况请致电客服人员(400-106-2016)进行咨询。



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
GHS Symbol
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
    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

      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-

      *以上化合物性质及应用等信息仅供参考