537349
乙酰乙酸乙酯
ReagentPlus®, 99%
别名:
EAA, 乙酰乙酸乙酯, 乙酰醋酸乙酯
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关于此项目
线性分子式:
CH3COCH2COOC2H5
化学文摘社编号:
分子量:
130.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
205-516-1
Beilstein/REAXYS Number:
385838
MDL number:
产品名称
乙酰乙酸乙酯, ReagentPlus®, 99%
InChI key
XYIBRDXRRQCHLP-UHFFFAOYSA-N
InChI
1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
SMILES string
CCOC(=O)CC(C)=O
vapor density
4.48 (vs air)
vapor pressure
1 mmHg ( 28.5 °C)
product line
ReagentPlus®
assay
99%
autoignition temp.
580 °F
expl. lim.
9.5 %
bp
181 °C (lit.)
mp
−43 °C (lit.)
solubility
water: soluble 130 g/L at 20 °C
density
1.029 g/mL at 20 °C (lit.)
functional group
ester
ketone
Quality Level
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Application
乙酰乙酸乙酯是一种多功能试剂，可用作烷基化、共轭加成和缩合反应的亲核试剂。其中一些应用有：
- 在乙酰乙酸乙酯的α-碳上进行烷基化，然后水解和脱羧，即可产生各种甲基酮。
- 在MgCl2 和吡啶存在时，它还能在α-碳上进行酰化，得到合成重要的中间体。
- 它可以用于与脂族、芳族和杂芳族醛发生Knoevenagel缩合反应，生成α-亚烷基乙酰乙酸酯。
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
存储类别
10 - Combustible liquids
wgk
WGK 1
flash_point_f
164.3 °F - closed cup
flash_point_c
73.5 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Knoevenagel-kondensationen mit titantetrachlorid/base?II: Alkyliden-und arylidenacet-bzw.-nitroessigester bei 0?22?.
Lehnert W
Tetrahedron, 28(3), 663-666 (1972)
Synthetic Applications of Dealkoxycarbonylations of Malonate Esters, β-Keto Esters, α-Cyano Esters and Related Compounds in Dipolar Aprotic Media-Part II.
Krapcho A P
Synthesis, 1982(11), 893-914 (1982)
Ethyl Acetoacetate.
eEROS (Encyclopedia of Reagents for Organic Synthesis) (2001)
Procedures for the acylation of diethyl malonate and ethyl acetoacetate with acid chlorides using tertiary amine bases and magnesium chloride.
Rathke MW and Cowan PJ.
The Journal of Organic Chemistry, 50(15), 2622-2624 (1985)
Netta Nir et al.
Applied microbiology and biotechnology, 78(4), 659-667 (2008-01-23)
The asymmetric bio-reduction of 4-chloro-acetoacetic-acid-ethyl-ester to the pharmaceutical building block (S)-4-chloro-3-hydroxybutanoate-ethyl-ester requires the utilization of an enantioselective robust biocatalyst. Some of the natural Saccharomyces cerevisiae strains, isolated from Mount Carmel National Park in Israel, were characterized as resistant to environmental
商品
The Biginelli Reaction is an acid-catalyzed, three-component reaction between an aldehyde, b-ketoester, and urea that produces tetrahydropyrimidones, which have potential pharmaceutical applications.
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