2-PROPIONYLFURAN

The 1-Propanone,1-(2-furanyl)-, with the CAS registry number 3194-15-8 and EINECS registry number 221-693-8, has the systematic name and IUPAC name of 1-(furan-2-yl)propan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₈O₂.

The characteristics of 1-Propanone,1-(2-furanyl)- are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 3.68; (7)ACD/KOC (pH 5.5): 88.48; (8)ACD/KOC (pH 7.4): 88.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.21 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 33.21 cm³; (15)Molar Volume: 120.2 cm³; (16)Polarizability: 13.16×10^-24cm³; (17)Surface Tension: 32 dyne/cm; (18)Density: 1.032 g/cm³; (19)Flash Point: 78.3 °C; (20)Enthalpy of Vaporization: 42.22 kJ/mol; (21)Boiling Point: 186 °C at 760 mmHg; (22)Vapour Pressure: 0.677 mmHg at 25°C. 

Preparation of 1-Propanone,1-(2-furanyl)-: This chemical can be prepared by dichloro-ethyl-aluminium and 8-(2-furoyloxy)quinoline. The reaction will need menstruum CH₂Cl₂. And the yield is about 64%. 

Uses of 1-Propanone,1-(2-furanyl)-: It can react with 2-trans-Cinnamoyl-furan to produce 1,5-di-furan-2-yl-2-methyl-3-phenyl-pentane-1,5-dione. This reaction will need reagent NaOH, and the menstruum methanol. The reaction time is 40 hours with temperature of 25°C, and the yield is about 97%.  

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: Wear suitable protective clothing, gloves and eye/face protection, 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(c1occc1)CC
(2)InChI: InChI=1/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
(3)InChIKey: HCPORNAVHSWTOJ-UHFFFAOYAV