4,5-Diphenyl-1,3-dioxol-2-one (21240-34-6)

The IUPAC name of 4,5-Diphenyl-1,3-dioxol-2-one is 4,5-Diphenyl-1,3-dioxol-2-one. With the CAS registry number 21240-34-6, it is also named as 1,2-Diphenylvinylene carbonate. The product's category is Heterocyclic Compounds. Besides, it is white crystal, which is soluble in alcohol and insoluble in water. In addition, its molecular formula is C₁₅H₁₀O₃ and molecular weight is 238.24. Moreover, when you are using this chemical, please do not breathe dust. And please avoid contact with skin and eyes. 

The other characteristics of this product can be summarized as: (1)EINECS: 244-287-2; (2)ACD/LogP: 3.92; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.92; (5)ACD/LogD (pH 7.4): 3.92; (6)ACD/BCF (pH 5.5): 565.51; (7)ACD/BCF (pH 7.4): 565.51; (8)ACD/KOC (pH 5.5): 3249.38; (9)ACD/KOC (pH 7.4): 3249.38; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 2; (13)Polar Surface Area: 35.53 Å²; (14)Index of Refraction: 1.628; (15)Molar Refractivity: 65.66 cm³; (16)Molar Volume: 184.9 cm³; (17)Polarizability: 26.02×10^-24cm³; (18)Surface Tension: 50.9 dyne/cm; (19)Density: 1.288 g/cm³; (20)Flash Point: 146 °C; (21)Melting point: 71-75 °C; (22)Enthalpy of Vaporization: 61.27 kJ/mol; (23)Boiling Point: 366.3 °C at 760 mmHg; (24)Vapour Pressure: 1.48E-05 mmHg at 25 °C.

Preparation of 4,5-Diphenyl-1,3-dioxol-2-one: this chemical can be prepared by 1H,1'H-1,1'-Carbonyl-bis-imidazole and 2-Hydroxy-1,2-diphenyl-ethanone.



This reaction needs DMAP and Tetrahydrofuran by heating. The reaction time is 3 hours. The yield is 80 %.

Uses of 4,5-Diphenyl-1,3-dioxol-2-one: this chemical is intermediates in organic synthesis. Furthermore, it is used for producting Dibenzoyl monoperoxycarbonate.



This reaction needs CH₂Cl₂ and O₃ at temperature of 0 °C. The yield is 75.6 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2O/C(c1ccccc1)=C(\O2)c3ccccc3
(2)InChI:InChI=1/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H
(3)InChIKey:SROHGOJDCAODGI-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H
(5)Std. InChIKey:SROHGOJDCAODGI-UHFFFAOYSA-N