[3,3'-Bipyridine]-5,5'-dicarboxylicacid, 5,5'-dimethyl ester supplier

Name
DIMETHYL 3,3'-BIPYRIDINE-5,5'-DICARBOXYLATE
EINECS
CAS No. 128612-43-1
Article Data4
CAS DataBase
Density 1.254 g/cm³
Solubility
Melting Point 226-230 °C
Formula C₁₄H₁₂N₂O₄
Boiling Point 443.1 °C at 760 mmHg
Molecular Weight 272.26
Flash Point 221.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Dimethyl 5,5'-bipyridine-3,3'-dicarboxylate 97%;
PSA 78.38000
LogP 1.71680

[3,3'-Bipyridine]-5,5'-dicarboxylicacid, 5,5'-dimethyl ester Specification

The [3,3'-Bipyridine]-5,5'-dicarboxylicacid, 5,5'-dimethyl ester, with the CAS registry number of 128612-43-1, is also known as Dimethyl 5,5'-bipyridine-3,3'-dicarboxylate 97%. It belongs to the product categories of Blocks; Carboxes; Pyridines. Its molecular formula is C₁₄H₁₂N₂O₄ and molecular weight is 272.26. What's more, its IUPAC name is Dimethyl 3,3'-bipyridine-5,5'-dicarboxylate.

Physical properties about the [3,3'-Bipyridine]-5,5'-dicarboxylicacid, 5,5'-dimethyl ester are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 78.38 Å²; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 70.57 cm³; (9)Molar Volume: 216.9 cm³; (10)Surface Tension: 50.5 dyne/cm; (11)Density: 1.254 g/cm³; (12)Flash Point: 221.8 °C; (13)Enthalpy of Vaporization: 70.07 kJ/mol; (14)Boiling Point: 443.1 °C at 760 mmHg; (15)Vapour Pressure: 4.77E-08 mmHg at 25 °C.

Preparation: this chemical is prepared by 5-Bromo-nicotinic acid methyl ester. The reaction needs solvent Tetrahydrofuran. The reaction time is 20 h with reaction temperature of 50 °C. The yield is about 73 %.

The [3,3'-Bipyridine]-5,5'-dicarboxylicacid, 5,5'-dimethyl ester can be obtained by 5-Bromo-nicotinic acid methyl ester

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cc(cnc1)c2cc(cnc2)C(=O)OC
(2) InChI: InChI=1/C14H12N2O4/c1-19-13(17)11-3-9(5-15-7-11)10-4-12(8-16-6-10)14(18)20-2/h3-8H,1-2H3
(3) InChIKey: FHLQRZZILYBCDV-UHFFFAOYAX

Product Name

DIMETHYL 3,3'-BIPYRIDINE-5,5'-DICARBOXYLATE

[3,3'-Bipyridine]-5,5'-dicarboxylicacid, 5,5'-dimethyl ester Specification

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