2-ETHYL-1-INDANONE

The 1H-Inden-1-one,2-ethyl-2,3-dihydro-, with CAS registry number 22351-56-0, belongs to the following product categories: (1)Indanone & Indene; (2)C11 to C12; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 2-ethyl-2,3-dihydro-1H-inden-1-one. This chemical is a kind of light yellow oil. And the chemical formula of this chemical is C₁₁H₁₂O.

Physical properties of 1H-Inden-1-one,2-ethyl-2,3-dihydro-: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 139.05; (6)ACD/BCF (pH 7.4): 139.05; (7)ACD/KOC (pH 5.5): 1190.37; (8)ACD/KOC (pH 7.4): 1190.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 47.88 cm³; (15)Molar Volume: 152.5 cm³; (16)Polarizability: 18.98×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.049 g/cm³; (19)Flash Point: 103.3 °C; (20)Enthalpy of Vaporization: 49.34 kJ/mol; (21)Boiling Point: 255.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0159 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-ethyl-1-phenyl-propenone. This reaction will need reagent H₂SO₄ and solvent CH₂Cl₂. The reaction time is 1 hour(s) with reaction temperature of 50 - 60 ℃.

Uses of p-Chloropropiophenone: it can be used to produce 2-ethyl-2-fluoro-indan-1-one. This reaction will need reagents n-BuLi, resp. 2-fluoro-2H-1λ6-benzo[e][1,2]thiazine 1,1-dioxide and solvents tetrahydrofuran, hexane, tetrahydrofuran. The reaction time is 1 hour(s) with reaction temperature of 0 ℃. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CC2CC
(2)InChI: InChI=1/C11H12O/c1-2-8-7-9-5-3-4-6-10(9)11(8)12/h3-6,8H,2,7H2,1H3
(3)InChIKey: GIUDGQPFOOPWIQ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H12O/c1-2-8-7-9-5-3-4-6-10(9)11(8)12/h3-6,8H,2,7H2,1H3
(5)Std. InChIKey: GIUDGQPFOOPWIQ-UHFFFAOYSA-N