4-(DIMETHYLAMINO)CHALCONE

The 2-Propen-1-one, 3-[4-(dimethylamino)phenyl]-1-phenyl-, with the CAS registry number 1030-27-9, is also known as Dimethylaminochalcone. It belongs to the product category of Chalcones. This chemical's molecular formula is C₁₇H₁₇NO and molecular weight is 251.32. What's more, its systematic name is 3-[4-(Dimethylamino)phenyl]-1-phenylprop-2-en-1-one.

Physical properties about 2-Propen-1-one, 3-[4-(dimethylamino)phenyl]-1-phenyl- are: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.52; (5)ACD/BCF (pH 5.5): 1270.28; (6)ACD/BCF (pH 7.4): 1597.4; (7)ACD/KOC (pH 5.5): 5428.53; (8)ACD/KOC (pH 7.4): 6826.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 81.42 cm³; (15)Molar Volume: 227.8 cm³; (16)Polarizability: 32.27×10^-24 cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.103 g/cm³; (19)Flash Point: 161.3 °C; (20)Enthalpy of Vaporization: 66.89 kJ/mol; (21)Boiling Point: 415.8 °C at 760 mmHg; (22)Vapour Pressure: 4.02E-07 mmHg at 25 °C.

Preparation of 2-Propen-1-one, 3-[4-(dimethylamino)phenyl]-1-phenyl-: this chemical is prepared by reaction of 1-Phenyl-ethanone with 4-Dimethylamino-benzaldehyde. This reaction needs reagents 2, 2'-Bipyridine and Co(OAc)₂. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 18 hours with reaction temperature of 80 °C. The yield is about 77 %.

Uses of 2-Propen-1-one, 3-[4-(dimethylamino)phenyl]-1-phenyl-: it is used to produce other chemicals. For example, it is used to produce 4-(4-Dimethylamino-phenyl)-6-phenyl-2-thioxo-1, 2-dihydro-pyridine-3-carbonitrile. The reaction needs reagent 8.5percent sol. of CH₃ONa. The reaction time is 1.5 hours and the yield is about 34 %. In addition, the reaction condition is by heating.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)\C=C\c2ccc(N(C)C)cc2
(2) InChI: InChI=1/C17H17NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h3-13H,1-2H3/b13-10+
(3) InChIKey: PDKPRWFMRVBCOB-JLHYYAGUBS