Ethanone,1-(2,3-dihydro-5-benzofuranyl)- (90843-31-5)

The Ethanone,1-(2,3-dihydro-5-benzofuranyl)-, with the CAS registry number 90843-31-5, has the systematic name of 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.51; (6)ACD/BCF (pH 7.4): 12.51; (7)ACD/KOC (pH 5.5): 212.33; (8)ACD/KOC (pH 7.4): 212.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 ; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 45.44 cm³; (15)Molar Volume: 141 cm³; (16)Polarizability: 18.01 ×10^-24 cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 54.93 kJ/mol; (21)Boiling Point: 308.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000674 mmHg at 25°C.

The production method of this chemical: 2,3-dihydro-benzofuran could react with acetyl chloride to produce Ethanone,1-(2,3-dihydro-5-benzofuranyl)-. This reaction could happen in the presence of the reagent of aluminium chloride and carbon disulfide.

Use of this chemical: Ethanone,1-(2,3-dihydro-5-benzofuranyl)- could react with morpholine to produce 2-(2,3-dihydro-benzofuran-5-yl)-1-morpholin-4-yl-ethanethione. This reaction could happen in the presence of the reagent of sulfur, p-toluenesulfonic acid, and it needs the reaction time of 5 hours in the condition of heating.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(c2cc1c(OCC1)cc2)C
(2)InChI:InChI=1/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3
(3)InChIKey:MMVUJVASBDVNGJ-UHFFFAOYAD