537594
乙酰乙酸叔丁酯
reagent grade, 95%
别名:
TBAA
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关于此项目
线性分子式:
CH3COCH2COOC(CH3)3
化学文摘社编号:
分子量:
158.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1680303
产品名称
乙酰乙酸叔丁酯, reagent grade, 95%
InChI
1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
SMILES string
CC(=O)CC(=O)OC(C)(C)C
InChI key
JKUYRAMKJLMYLO-UHFFFAOYSA-N
grade
reagent grade
assay
95%
expl. lim.
8 % (lit.)
impurities
≤0.20% water
water
refractive index
n20/D 1.419 (lit.)
bp
71-72 °C/11 mmHg (lit.)
mp
-38 °C (lit.)
density
0.954 g/mL at 25 °C (lit.)
functional group
ester
ketone
Quality Level
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Application
叔-丁基乙酰乙酸盐可用于合成：
- 各种乙酰乙酸衍生物
- 乙酰乙酸盐类
- 乙酰乙酰胺
- 1-（二乙氨基）-2-乙酰乙酰氧基丙烷
- ( S )- 叔 -3-羟基丁酸丁酯
- 苯并噻唑 β-酮酯衍生物
- 3,4-双取代吡咯
General description
叔 -乙酰乙酸叔丁酯 ( t -BAA) 是一种廉价且易于储存的商品试剂。反应证明更妨碍的乙酰乙酸叔丁酯 (t-BAA，la) 比更常用的甲基或乙基类似物活性高 15-20 倍。其广泛用作乙酰化试剂。
存储类别
10 - Combustible liquids
wgk
WGK 1
flash_point_f
150.8 °F - closed cup
flash_point_c
66 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Highly enantioselective Mannich reactions of imines with tert-butyl acetoacetate catalyzed by squaramide organocatalyst.
He HX and Du DM.
Tetrahedron Asymmetry, 25(8), 637-643 (2014)
Synthesis of (S)-Tert-Butyl 3-Hydroxybutyrate by Asymmetric Reduction of Tert-Butyl Acetoacetate with Saccharomyces cerevisiae B5.
Ou ZM, et al.
Advanced Materials Research, 704 (2013)
Enzymatic Synergism in the Synthesis of ?-Keto Esters.
Wisniewska C, et al.
European Journal of Organic Chemistry, 24, 5432-5437 (2015)
Transacetoacetylation with tert-butyl acetoacetate: synthetic applications.
Witzeman JS and Nottingham WD.
The Journal of Organic Chemistry, 56(5), 1713-1718 (1991)
Deborah A Smithen et al.
Organic & biomolecular chemistry, 11(1), 62-68 (2012-10-17)
Prodigiosenes, possessing a 4-methoxypyrrolyldipyrrin skeleton, are known for their anti-cancer activity. Structural modification of the C-ring resulted in a series of prodigiosenes that displayed promising activity against leukemia cell lines during in vitro analysis against the NCI 60 cancer cell
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