1,3-BIS(4-METHOXYPHENYL)-1,3-PROPANEDIONE

This chemical is called 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-, and its systematic name is 1,3-bis(4-methoxyphenyl)propane-1,3-dionato. With the molecular formula of C₁₇H₁₆O₄, its product categories are Environmentally-friendly Oxidation; Synthetic Organic Chemistry; C15 to C38; Carbonyl Compounds; Ketones. The CAS registry number of this chemical is 18362-51-1.

Other characteristics of the 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.32; (6)ACD/BCF (pH 7.4): 156.86; (7)ACD/KOC (pH 5.5): 1300.38; (8)ACD/KOC (pH 7.4): 1296.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 79.23 cm³; (15)Molar Volume: 244.8 cm³; (16)Polarizability: 31.41×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 206.4 °C; (20)Enthalpy of Vaporization: 72.49 kJ/mol; (21)Boiling Point: 463.7 °C at 760 mmHg; (22)Vapour Pressure: 8.92E-09 mmHg at 25°C.

Production method of this chemical: The 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)- could be obtained by the reactants of 1-(4-methoxy-phenyl)-ethanone and 4-methoxy-benzoic acid ethyl ester. This reaction needs the reagents of NaNH₂, and the solvent of diethyl ether.

Uses of this chemical: The 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)- could react with iodomethane, and obtain the 1,3-bis-(4-methoxy-phenyl)-2,2-dimethyl-propane-1,3-dione. This reaction needs the reagent of K₂CO₃, and the solvent of dimethylsulfoxide, CHCl₃. The yield is 58 %.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1ccc(OC)cc1)CC(=O)c2ccc(OC)cc2
2.InChI: InChI=1/C17H16O4/c1-20-14-7-3-12(4-8-14)16(18)11-17(19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3
3.InChIKey: GNMDORSUZRRMFS-UHFFFAOYAU