The Benzenepropanoic acid,3,4,5-trimethoxy-β-oxo-,ethyl ester, with the CAS registry number 3044-56-2, is also known as Ethyl 3,4,5-trimethoxybenzoylacetate. Its EINECS number is 221-251-4. It belongs to the product categories of Benzoic acid; C12 to C63; Carbonyl Compounds; Esters. This chemical's molecular formula is C₁₄H₁₈O₆ and molecular weight is 282.29. What's more, its systematic name is Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate. It is stable at room temperature and pressure and it should not be mixed with incompatible chemicals such as strong oxides, acids and bases. Besides, it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides. When using it, you should avoid your skin and eyes contacting with it.

Physical properties of Benzenepropanoic acid,3,4,5-trimethoxy-β-oxo-,ethyl ester are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.13; (6)ACD/BCF (pH 7.4): 19.13; (7)ACD/KOC (pH 5.5): 287.82; (8)ACD/KOC (pH 7.4): 287.77; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 71.98 cm³; (15)Molar Volume: 245.9 cm³; (16)Polarizability: 28.53×10^-24 cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.147 g/cm³; (19)Flash Point: 163.8 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 374.9 °C at 760 mmHg; (22)Vapour Pressure: 8.07E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by diazoacetic acid ethyl ester and 3,4,5-trimethoxy-benzaldehyde by heating. This reaction will need reagent zeolite Hβ and solvent 1,2-dichloro-ethane with the reaction time of 8 hours. The yield is about 56%.

Uses of Benzenepropanoic acid,3,4,5-trimethoxy-β-oxo-,ethyl ester: it can be used to produce 5,7-dihydroxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one under microwave irradiation with he reaction time of 7 min. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CC(=O)C1=CC(=C(C(=C1)OC)OC)OC
(2)InChI: InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3
(3)InChIKey: VEYNISLTHXQSGU-UHFFFAOYSA-N