4',5,5''-TRIMETHYL-2,2':6',2''-TERPYRIDINE

The 2,2':6',2''-Terpyridine,4',5,5''-trimethyl- (9CI), with the CAS registry number 316800-47-2, is also known as 4',5,5''-Trimethyl-2,2':6',2''-terpyridin. This chemical's molecular formula is C₁₈H₁₇N₃ and molecular weight is 275.35. Its systematic name is called 4',5,5''-trimethyl-2,2':6',2''-terpyridine.

Physical properties of 2,2':6',2''-Terpyridine,4',5,5''-trimethyl- (9CI): (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 198.17; (5)ACD/BCF (pH 7.4): 272.11; (6)ACD/KOC (pH 5.5): 1399.96; (7)ACD/KOC (pH 7.4): 1922.31; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.592; (11)Molar Refractivity: 84.18 cm³; (12)Molar Volume: 248.4 cm³; (13)Surface Tension: 46.6 dyne/cm; (14)Density: 1.108 g/cm³; (15)Flash Point: 186.9 °C; (16)Enthalpy of Vaporization: 65.63 kJ/mol; (17)Boiling Point: 427.7 °C at 760 mmHg; (18)Vapour Pressure: 4.01E-07 mmHg at 25°C.

Preparation of 2,2':6',2''-Terpyridine,4',5,5''-trimethyl- (9CI): this chemical can be prepared by 2,6-dibromo-4-methyl-pyridine and 5-methyl-2-tributylstannanyl-pyridine. This reaction is a kind fof Substitution//Stille reaction. It will need catalyst (Ph₃P)₄Pd and solvent toluene. The reaction time is 16 hours with reaction temperature of 110 °C. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(nc1)c2cc(cc(n2)c3ccc(cn3)C)C
(2)InChI: InChI=1/C18H17N3/c1-12-4-6-15(19-10-12)17-8-14(3)9-18(21-17)16-7-5-13(2)11-20-16/h4-11H,1-3H3
(3)InChIKey: PTLPGQMKGVVVRL-UHFFFAOYAW