nicotinic anhydride

The 3-Pyridinecarboxylicacid, 1,1'-anhydride is an organic compound with the formula C₁₂H₈N₂O₃. The IUPAC name of this chemical is Pyridine-3-carbonyl pyridine-3-carboxylate. With the CAS registry number 16837-38-0, it is also named as Nicotinic anhydride. The product's categories are Condensation and Active Esterification; Synthetic Organic Chemistry. Besides, its molecular weight is 228.20352.

Physical properties about 3-Pyridinecarboxylicacid, 1,1'-anhydride are: (1)ACD/LogP: 0.04; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24.93; (7)ACD/KOC (pH 7.4): 24.95; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 69.15 Å²; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 59.17 cm³; (13)Molar Volume: 173.1 cm³; (14)Polarizability: 23.45×10^-24 cm³; (15)Surface Tension: 59.5 dyne/cm; (16)Density: 1.317 g/cm³; (17)Flash Point: 203.1 °C; (18)Enthalpy of Vaporization: 66.49 kJ/mol; (19)Boiling Point: 412.3 °C at 760 mmHg; (20)Vapour Pressure: 5.25E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by Nicotinic acid. This reaction will need reagents N(C₂H₅)₃; N,N-bis<2-oxo-3-oxazolidinyl>phosphorodiamidic chloride and solvent tetrahydrofuran. The reaction time is 30 min with reaction temperature of 20 °C. The yield is about 96%.

Uses of 3-Pyridinecarboxylicacid, 1,1'-anhydride: it can be used to produce Nicotinic acid phenyl ester. It will need reagent pyridine. The yield is about 98%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H
(2)InChIKey: VPODXHOUBDCEHN-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H
(4)Std. InChIKey: VPODXHOUBDCEHN-UHFFFAOYSA-N