3(2H)-Pyridazinone,6-(4-aminophenyl)-4,5-dihydro-5-methyl- (36725-28-7)

The IUPAC name of 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone is 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one. With the CAS registry number 36725-28-7, it is also named as 3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-. The product's category is intermediate of levosimendan. In addition, its molecular formula is C₁₁H₁₃N₃O and molecular weight is 203.24.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.28; (8)ACD/KOC (pH 7.4): 9.33; (9)H bond acceptors: 4; (10)H bond donors: 3; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.652; (14) Molar Refractivity: 56.82 cm³; (15)Molar Volume: 155.2 cm³; (16)Polarizability: 22.52×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.3 g/cm³.

Preparation of 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone: this chemical can be prepared by 3-(4-Aminobenzoyl)butanoic acid hydrochloride.



This reaction needs Hydrazine hydrate and H₂O by heating. The reaction time is 1.5 hours. The yield is 87 %.

Uses of 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone: it can react with 3-Bromo-propionyl chloride to get 6-[4-(3-Bromopropionamido)phenyl]-5-methyl-4,5-dihydro-3(2H)-pyridazinone.



This reaction needs Acetonitrile by heating for 3 hours. The yield is 99 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2N/N=C(/c1ccc(N)cc1)C(C)C2
(2)InChI:InChI=1/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)
(3)InChIKey:GDMRFHZLKNYRRO-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)
(5)Std. InChIKey:GDMRFHZLKNYRRO-UHFFFAOYSA-N