Description

Tetraethyl (2,2′-Bipyridine)-4,4′-diylbis(phosphonate) (CAS No. 174397-53-6) is a highly specialized organophosphorus compound with the molecular formula C₁₈H₂₆N₂O₆P₂. This bipyridine derivative is functionalized with diethyl phosphonate groups at the 4 and 4′ positions, making it a valuable intermediate in coordination chemistry, catalysis, and materials science. Its IUPAC name is 4-diethoxyphosphoryl-2-(4-diethoxyphosphorylpyridin-2-yl)pyridine, and it is characterized by its ability to act as a bidentate ligand for transition metals. The compound is supplied as a high-purity solid, ensuring consistency for research applications. Suitable for use in organic synthesis, metal-organic frameworks (MOFs), and as a precursor for phosphonic acid derivatives, this product is ideal for researchers requiring precise functionalization of bipyridine scaffolds.

Properties

• CAS Number: 174397-53-6
• Complexity: 496
• IUPAC Name: 4-diethoxyphosphoryl-2-(4-diethoxyphosphoryl-2-pyridyl)pyridine
• InChI: InChI=1S/C18H26N2O6P2/c1-5-23-27(21,24-6-2)15-9-11-19-17(13-15)18-14-16(10-12-20-18)28(22,25-7-3)26-8-4/h9-14H,5-8H2,1-4H3
• InChI Key: BBFROMDCBUIPCU-UHFFFAOYSA-N
• Exact Mass: 428.12661055
• Molecular Formula: C18H26N2O6P2
• Molecular Weight: 428.4
• SMILES: CCOP(=O)(C1=CC(=NC=C1)C2=NC=CC(=C2)P(=O)(OCC)OCC)OCC
• Topological: 96.8
• Monoisotopic Mass: 428.12661055
• Synonyms: Tetraethyl [2,2′-bipyridine]-4,4′-diylbis(phosphonate), Tetraethyl (2,2′-Bipyridine)-4,4′-diylbis(phosphonate), 808-578-3, 174397-53-6, TETRAETHYL 2,2′-BIPYRIDINE-4,4′-BISPHOSPHONATE, 4-diethoxyphosphoryl-2-(4-diethoxyphosphorylpyridin-2-yl)pyridine, MFCD11042489, diethyl [4′-(diethoxyphosphoryl)-[2,2′-bipyridin]-4-yl]phosphonate, DTXSID60431735, AKOS022174891, AG-E-23990, CS-W004605, FT15035, AS-69748, SY100878, 4,4′-Bis(diethylphosphonate)-2,2′-bipyridine, Tetraethyl 2,2′-bipyridine-4,4′-diylbisphosphonate, 4,4′-DIETHYL ESTER PHOSPHONATE-2,2′-BIPYRIDINE, Tetraethyl[2,2′-bipyridine]-4,4′-diylbis(phosphonate), P,P’-[[2,2′-bipyridine]-4,4′-diyl]bisphosphonic acid, 97% (HPLC), Tetraethyl [2,2 inverted exclamation mark -Bipyridine]-4,4 inverted exclamation mark -diylbis(phosphonate)

Application

Tetraethyl (2,2′-Bipyridine)-4,4′-diylbis(phosphonate) is widely used as a ligand in transition metal catalysis due to its ability to form stable complexes. It serves as a key building block in the synthesis of phosphonate-functionalized bipyridine derivatives for applications in photovoltaics and OLEDs. Researchers also employ this compound in the development of metal-organic frameworks (MOFs) with tailored porosity and reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.5%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (97.5%)
• STOT SE 3 (97.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.