4,4'-DIMETHOXYBENZIL

The 1,2-Ethanedione,1,2-bis(4-methoxyphenyl)-, with the CAS registry number 1226-42-2 and EINECS registry number 214-960-5, has the systematic name of 1,2-bis(4-methoxyphenyl)ethane-1,2-dione. It is a kind of yellow fine crystalline powder, and belongs to the following product categories: Aromatic Ethers; Functional Materials; Photopolymerization Initiators. The molecular formula of the chemical is C₁₆H₁₄O₄.

The characteristics of 1,2-Ethanedione,1,2-bis(4-methoxyphenyl)- are as followings: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 390.52; (6)ACD/BCF (pH 7.4): 390.52; (7)ACD/KOC (pH 5.5): 2492.87; (8)ACD/KOC (pH 7.4): 2492.87; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 74.6 cm³; (15)Molar Volume: 228.3 cm³; (16)Polarizability: 29.57×10^-24cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 197.5 °C; (20)Enthalpy of Vaporization: 69.96 kJ/mol; (21)Boiling Point: 442.2 °C at 760 mmHg; (22)Vapour Pressure: 5.13E-08 mmHg at 25°C.

Uses of 1,2-Ethanedione,1,2-bis(4-methoxyphenyl)-: It can react with pyridine-3-carbaldehyde to produce 3-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-yl]-pyridine. This reaction will need reagent AcOH and AcONH₄. It is also need heating, and the yield is about 78%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust; Avoid contact with skin and eyes; Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C(=O)c1ccc(OC)cc1)c2ccc(OC)cc2
(2)InChI: InChI=1/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
(3)InChIKey: YNANGXWUZWWFKX-UHFFFAOYAL