4-BENZOYLDIHYDRO-2(3H)-FURANONE

This chemical is called 2(3H)-Furanone,4-benzoyldihydro-, and its systematic name is 4-benzoyldihydrofuran-2(3H)-one. With the molecular formula of C₁₁H₁₀O₃, its molecular weight is 190.20. The CAS registry number of the chemical is 21034-22-0. Additionally, the chemical is irritant, please be careful when you use it.

Other characteristics of 2(3H)-Furanone,4-benzoyldihydro- can be summarised as followings: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 49.82 cm³; (9)Molar Volume: 153.2 cm³; (10)Polarizability: 19.75×10^-24cm³; (11)Surface Tension: 47.8 dyne/cm; (12)Density: 1.24 g/cm³; (13)Flash Point: 173 °C; (14)Enthalpy of Vaporization: 62.85 kJ/mol; (15)Boiling Point: 380.4 °C at 760 mmHg; (16)Vapour Pressure: 5.47E-06 mmHg at 25°C.

Production method of this chemical: The 2(3H)-Furanone,4-benzoyldihydro- could be obtained by the reactant of 4-oxo-4-phenyl-butyric acid and Formaldehyde. This reaction needs the reagent of aq. NaOH. The yield is 81 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.



Uses of this chemical: The 2(3H)-Furanone,4-benzoyldihydro- could react with 2-nitro-p-phenylenediamine, and obtain the 1-(4-Amino-3-nitrophenyl)-4-benzoylpyrrolidin-2-one. This reaction needs the reagent of triethylamine, and the solvent of ethanol. The yield is 41 %. In addition, this reaction should be taken for 8 hours under heating conditions.



You can still convert the following datas into molecular structure:
1.SMILES: O=C2OCC(C(=O)c1ccccc1)C2
2.InChI: InChI=1/C11H10O3/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
3.InChIKey: ZNOUXOIZMNTERL-UHFFFAOYAV
4.Std. InChI: InChI=1S/C11H10O3/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2 
5.Std. InChIKey: ZNOUXOIZMNTERL-UHFFFAOYSA-N