4'-METHOXYVALEROPHENONE

The 1-Pentanone,1-(4-methoxyphenyl)- is an organic compound with the formula C₁₂H₁₆O₂. The IUPAC name of this chemical is 1-(4-Methoxyphenyl)pentan-1-one. With the CAS registry number 1671-76-7, it is also named as p-Methoxyvalerophenone. Besides, its molecular weight is 192.25.

Physical properties about 1-Pentanone,1-(4-methoxyphenyl)- are: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.33; (4)ACD/BCF (pH 5.5): 201.32; (5)ACD/BCF (pH 7.4): 201.32; (6)ACD/KOC (pH 5.5): 1551.4; (7)ACD/KOC (pH 7.4): 1551.4; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 56.85 cm³; (13)Molar Volume: 194.4 cm³; (14)Polarizability: 22.54×10^-24 cm³; (15)Surface Tension: 33.6 dyne/cm; (16)Density: 0.988 g/cm³; (17)Flash Point: 129.5 °C; (18)Enthalpy of Vaporization: 54.45 kJ/mol; (19)Boiling Point: 304.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000888 mmHg at 25 °C.

Preparation: this chemical can be prepared by Pentanoyl chloride. This reaction is a kind of Friedel-Crafts acylation. This reaction will need reagent AlCl₃ and solvent 1,2-Dichloro-ethane. The reaction temperature is 0 - 20 °C.

Uses of 1-Pentanone,1-(4-methoxyphenyl)-: it can be used to produce 4-Pentyl-anisole at temperature of 5 - 20 °C. It will need reagents 80 percent hydrazine hydrate; KOH and solvent Bis-(2-hydroxy-ethyl) ether with reaction time of 3 hours. The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H16O2/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10/h6-9H,3-5H2,1-2H3
(2)InChIKey: HNHLNYCFOLMJHR-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C12H16O2/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10/h6-9H,3-5H2,1-2H3
(4)Std. InChIKey: HNHLNYCFOLMJHR-UHFFFAOYSA-N