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Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-

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Name

Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-

EINECS N/A
CAS No. 6962-57-8 Density 1.279 g/cm3
PSA 75.99000 LogP 1.31760
Solubility N/A Melting Point N/A
Formula C10H12O5 Boiling Point 425.4 °C at 760 mmHg
Molecular Weight 212.202 Flash Point 171.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6962-57-8 (3,6-DIHYDROXY-2,4-DIMETHOXYACETOPHENONE) Hazard Symbols N/A
Synonyms

Acetophenone,3',6'-dihydroxy-2',4'-dimethoxy- (6CI,7CI,8CI);3',6'-Dihydroxy-2',4'-dimethoxyacetophenone;NSC 37417;

Article Data 12

Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)- Specification

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%.

Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)- can be obtained by 1-(2-Hydroxy-4,6-dimethoxy-phenyl)-ethanone

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%.

Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)- can react with Chloromethyl-benzene to get 1-(3,6-Bis-benzyloxy-2,4-dimethoxy-phenyl)-ethanone

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

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