3,6-DIHYDROXY-2,4-DIMETHOXYACETOPHENONE

The Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-, with the CAS registry number 6962-57-8, is also known as 3',6'-Dihydroxy-2',4'-dimethoxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (Substituted). This chemical's molecular formula is C₁₀H₁₂O₅ and molecular weight is 212.2. What's more, its IUPAC name and systematic name are the same which is called 1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)ethanone.

Physical properties about Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 53.99 Å²; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 53.4 cm³; (9)Molar Volume: 165.8 cm³; (10)Surface Tension: 47.7 dyne/cm; (11)Density: 1.279 g/cm³; (12)Flash Point: 171.2 °C; (13)Enthalpy of Vaporization: 70.63 kJ/mol; (14)Boiling Point: 425.4 °C at 760 mmHg; (15)Vapour Pressure: 7.77E-08 mmHg at 25 °C.

Preparation of Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-: it can be obtained by 1-(2-Hydroxy-4,6-dimethoxy-phenyl)-ethanone. The reaction occurs with reagent dimethyl dioxirane and solvents acetone, CH₂Cl₂ at temperature of 0-20°C for 10 minutes. The yield is 82%.

Uses of Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-: it is used to produce other chemicals. For example, it can react with Chloromethyl-benzene to get 1-(3,6-Bis-benzyloxy-2,4-dimethoxy-phenyl)-ethanone. The reaction occurs with reagent potassium carbonate and solvent dimethylformamide at temperature of 50°C for 10 minutes. The yield is 88%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(OC)c(O)c(OC)cc1O)C
(2) InChI: InChI=1/C10H12O5/c1-5(11)8-6(12)4-7(14-2)9(13)10(8)15-3/h4,12-13H,1-3H3
(3) InChIKey: JQIYCACQAOMVTI-UHFFFAOYAW