280208
乙酰丁二酸二甲酯
别名:
2-Acetylbutanedioic acid-1,4-dimethyl ester
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关于此项目
线性分子式:
CH3O2CCH2CH(COCH3)CO2CH3
化学文摘社编号:
分子量:
188.18
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
233-897-4
MDL number:
Form:
solid
form
solid
bp
129-134 °C/12 mmHg (lit.)
mp
33 °C (lit.)
solubility
water: soluble 56.2 g/L at 20 °C
density
1.16 g/mL at 25 °C (lit.)
functional group
ester, ketone
SMILES string
COC(=O)CC(C(C)=O)C(=O)OC
InChI
1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
InChI key
XREKLQOUFWBSFH-UHFFFAOYSA-N
General description
Dimethyl acetylsuccinate undergoes sulfuric acid catalyzed Pechmann condensation with the corresponding resorcinol derivative to give 7-hydroxycoumarins.
Application
Dimethyl acetylsuccinate has been used in the synthesis of 2-oxofuro[2,3-b]pyrroles and 19-methyl-15-oxa-20-azatricyclo[12.3.3.0(1,14)]icos-18-en-18-carboxylates.
Reactant involved in:
- Cyclization for the synthesis of β-carbolines
- Synthesis of photochromic molecules with improved fatigue resistances and dark form stabilities
- Asymmetric hydrogenation of acylsuccinate followed by lactonization for synthesis of oxotetrahydrofurancarboxylates
- Amidation for synthesis of amino-acid derivatives of dihydropyranocoumarins
存储类别
13 - Non Combustible Solids
wgk
WGK 1
flash_point_f
280.4 °F - closed cup
flash_point_c
138 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)