2',4',5'-TRIMETHOXYACETOPHENONE

The Ethanone,1-(2,4,5-trimethoxyphenyl)-, with the CAS registry number 1818-28-6, is also known as 2,4,5-Trimethoxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). Its EINECS registry number is 217-333-4. This chemical's molecular formula is C₁₁H₁₄O₄ and molecular weight is 210.23. What's more, both its IUPAC name and systematic name are the same which is called 1-(2,4,5-Trimethoxyphenyl)ethanone.

Physical properties about Ethanone,1-(2,4,5-trimethoxyphenyl)- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.42; (6)ACD/BCF (pH 7.4): 18.42; (7)ACD/KOC (pH 5.5): 280.05; (8)ACD/KOC (pH 7.4): 280.05; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 56.31 cm³; (15)Molar Volume: 192.9 cm³; (16)Surface Tension: 32.9 dyne/cm; (17)Density: 1.089 g/cm³; (18)Flash Point: 144.4 °C; (19)Enthalpy of Vaporization: 57.07 kJ/mol; (20)Boiling Point: 328.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000191 mmHg at 25 °C.

Preparation of Ethanone,1-(2,4,5-trimethoxyphenyl)-: this chemical can be prepared by Acetyl chloride with 1,2,4-Trimethoxy-benzene. This reaction needs reagent AlCl₃ and solvent CH₂Cl₂ at temperature of 10 °C. The reaction time is 1 hour. The yield is 89 %.

Uses of Ethanone,1-(2,4,5-trimethoxyphenyl)-: it is used to produce other chemicals. For example, it can react with Dihydroxyacetic acid to get 2-Hydroxy-4-oxo-4-(2,4,5-trimethoxy-phenyl)-butyric acid. This reaction needs 3 hours and reaction temperature is 95 °C. The yield is 67 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(OC)cc(OC)c(OC)c1)C
(2) InChI: InChI=1/C11H14O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3
(3) InChIKey: GUTMBHHLVSFJIP-UHFFFAOYAO