2-Methoxyethyl acetoacetate

This chemical is called 2-Methoxyethyl acetoacetate, and its CAS registry number is 22502-03-0. With the molecular formula of C₇H₁₂O₄, its product categories are API Intermediates; Diketene Esters; Diketene Derivatives. In addition, this chemical should be sealed in the cool and dry place, away from oxides. 

Other characteristics of the 2-Methoxyethyl acetoacetate can be summarised as followings: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.7; (8)ACD/KOC (pH 7.4): 21.68; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 38.02 cm³; (15)Molar Volume: 151 cm³; (16)Polarizability: 15.07×10^-24cm³; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 103.3 °C; (20)Enthalpy of Vaporization: 46.54 kJ/mol; (21)Boiling Point: 228.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0721 mmHg at 25°C.

Production method of this chemical: The 2-Methoxyethyl acetoacetate could be obtained by the reactants of diketene and 2-methoxy-ethanol. This reaction needs the reagent of , and the solvent of Et₃N.

Uses of this chemical: The 2-Methoxyethyl acetoacetate could react with p-Nitrobenzolsulfonylperoxid, and obtain the 2-Methoxyethyl 2-{[(p-nitrophenyl)sulfonyl]oxy}acetoacetate. This reaction needs the solvent of CH₂Cl₂. The yield is 67 %. In addition, this reaction should be taken at the temperature of 0 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCCOC)CC(=O)C
2.InChI: InChI=1/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3
3.InChIKey: PLHCSZRZWOWUBW-UHFFFAOYAY