4-HYDROXYBENZALACETONE

The 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)-, with the CAS registry number 22214-30-8, is also known as (3E)-4-(4-Hydroxyphenyl)but-3-en-2-one. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.1852. What's more, its IUPAC name is (E)-4-(4-Hydroxyphenyl)but-3-en-2-one.

Physical properties about 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 48.68 cm³; (9)Molar Volume: 142.4 cm³; (10)Polarizability: 19.3×10^-24 cm³; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.138 g/cm³; (13)Flash Point: 134.8 °C; (14)Enthalpy of Vaporization: 58.19 kJ/mol; (15)Boiling Point: 318.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000198 mmHg at 25 °C.

Preparation of 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)-: this chemical is prepared by 4t-(4-Methoxy-phenyl)-but-3-en-2-one by heating. This reaction needs reagents C₆H₅SH; K₂CO₃; 1-Methyl-2-pyrrolidinone. The reaction time is 30 minutes. The yield is about 73 %.

Uses of 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)-: it is used to produce other chemicals. For example, it is used to produce 1-Trimethylsilanyloxy-4-(3-trimethylsilanyloxy-buta-1, 3-dienyl)-benzene. The reaction needs reagent DBU and solvent CH₂Cl₂. The reaction time is 2 hours with reaction temperature of 40 °C. The yield is about 39 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C=C/c1ccc(O)cc1)C
(2) InChI: InChI=1/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
(3) InChIKey: OCNIKEFATSKIBE-NSCUHMNNBS