Quinoxaline N-oxide

• CAS: 6935-29-1
• Catalog Number: ACM6935291-2
• Category: Main Products
• Molecular Weight: 146.15
• Molecular Formula: C8H6N2O
• Synonyms: 1-Oxide quinoxaline
• Melting Point: 121-125° C
• Appearance: Powder
• Storage: room temperature

Case Study

Complexes of Quinoxaline-1-Oxide with Transition Metal Chlorides

Chasan, D. E., et al. Journal of Inorganic and Nuclear Chemistry, 1976, 38(10), 1799-1805.

Complexes of 3d transition metal chlorides with quinoxaline 1-oxide (N-QxO) were synthesized in this work. The following stoichiometries were isolated: (CrCl₃)(N-QxO)₃·12H₂O, MnCl₂(N-QxO)₂, (FeCl₃)(N-QxO)₃·2H₂O, CoCl₂(N-QxO)₃·5H₂O, NiCl₂(N-QxO)₂, CuCl₂(N-QxO)₂·3H₂O, and ZnCl₂(N-QxO). Spectral and magnetic analyses indicated these compounds are likely bi- or poly-nuclear. Structural proposals include:
· Cr(III) & Fe(III): Terminal and bridging O-bonded N-QxO ligands alongside chloro ligands.
· Mn(II), Ni(II), Cu(II): Chloride bridges and terminal N-QxO, with O-bonding in Mn(II) and N-bonding in Ni(II)/Cu(II).
· Zn(II): Terminal chloro and bridging O,N-bonded N-QxO.
· Co(II): Mixture of terminal N-bonded and bridging O,N-bonded N-QxO.
Coordination geometries were deduced as tetrahedral for Zn(II), pentacoordinate for Mn(II), and hexacoordinate for others. All complexes exhibited high-spin behavior except Fe(III), which showed spin equilibria (μ_eff = 3.71 BM).
Synthesis Details
Reactions were conducted under dry N₂. Hydrated/anhydrous metal chlorides (1 mmol) were dissolved in acetone (20 mL for Cr(III), Fe(II), Fe(III), Co(II), Cu(II), Zn(II); 75 mL for MnCl₂) and stirred with molecular sieve 4A (3 g). Separately, N-QxO (3.5 mmol) in chloroform (8 mL) underwent similar pretreatment. Filtered ligand and metal solutions were combined with stirring. Precipitates formed immediately for Cr(III), Mn(II), Co(II), Cu(II), and Zn(II). For Fe(III), diethyl ether induced precipitation, while FeCl₂ yielded no product. NiCl₂ (insoluble in acetone) required a 3:2 ethanol-triethyl orthoformate solvent mix, with rapid precipitation upon ligand addition.

Custom Q&A

What is the molecular formula of quinoxaline N-oxide?

The molecular formula of quinoxaline N-oxide is C8H6N2O.

What is the molecular weight of quinoxaline N-oxide?

The molecular weight of quinoxaline N-oxide is 146.15 g/mol.

What is the IUPAC name of quinoxaline N-oxide?

The IUPAC name of quinoxaline N-oxide is 1-oxidoquinoxalin-1-ium.

What is the InChI of quinoxaline N-oxide?

The InChI of quinoxaline N-oxide is InChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H.

What is the InChIKey of quinoxaline N-oxide?

The InChIKey of quinoxaline N-oxide is OARGFWQSVACNCO-UHFFFAOYSA-N.

What is the canonical SMILES of quinoxaline N-oxide?

The canonical SMILES of quinoxaline N-oxide is C1=CC=C2C(=C1)N=CC=[N+]2[O-].

What is the CAS number of quinoxaline N-oxide?

The CAS number of quinoxaline N-oxide is 6935-29-1.

What is the European Community (EC) number of quinoxaline N-oxide?

The European Community (EC) number of quinoxaline N-oxide is 623-145-7.

What is the UNII of quinoxaline N-oxide?

The UNII of quinoxaline N-oxide is NWY6JJ9HR6.

What is the XLogP3-AA value of quinoxaline N-oxide?

The XLogP3-AA value of quinoxaline N-oxide is 0.2.