6-OXO-1,4,5,6-TETRAHYDROPYRIDAZIN-3-CARBOXYLIC ACID

The CAS register number of 3-Pyridazinecarboxylicacid, 1,4,5,6-tetrahydro-6-oxo- is 27372-38-9. It also can be called as 1,4,5,6-Tetrahydro-6-oxo-3-pyridazinecarboxylic acid and the IUPAC name about this chemical is 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid. The molecular formula about this chemical is C₅H₆N₂O₃ and the molecular weight is 142.11.

Physical properties about 3-Pyridazinecarboxylicacid, 1,4,5,6-tetrahydro-6-oxo- are: (1)ACD/LogP: -2.22; (2)ACD/LogD (pH 5.5): -5.73; (3)ACD/LogD (pH 7.4): -5.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 58.97 Å²; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 31.69 cm³; (14)Molar Volume: 85.6 cm³; (15)Polarizability: 12.56x10^-24cm³; (16)Surface Tension: 71.6 dyne/cm; (17)Density: 1.65 g/cm³.

Preparation: this chemical can be prepared by 2-oxo-pentanedioic acid. This reaction will need reagents of NaOH-solution, hydrazine sulfate.

 

Uses of 3-Pyridazinecarboxylicacid, 1,4,5,6-tetrahydro-6-oxo-: it can be used to produce 6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid {1-[5,6-bis-(4-methoxy-phenyl)-[1,2,4]triazin-3-yl]-1-methyl-ethyl}-amide with 1-[5,6-bis-(4-methoxy-phenyl)-[1,2,4]triazin-3-yl]-1-methyl-ethylamine; hydrochloride. This reaction will need reagents of NaHCO₃, 1-hydroxybenzotriazole hydrate, 1-(3-dimetylaminopropyl)-3-ethylcarbodiimide hydrochloride and solvent of dimethylformamide. The reaction time is 3 hours with ambient temperature. The yield is about 83.4%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C1=N/NC(=O)CC1
(2)InChI: InChI=1/C5H6N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H2,(H,7,8)(H,9,10)
(3)InChIKey: VUADWGRLHPTYPI-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H6N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H2,(H,7,8)(H,9,10)
(5)Std. InChIKey: VUADWGRLHPTYPI-UHFFFAOYSA-N