3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine

Base Information

• Chemical Name: 3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine
• CAS No.: 1671-87-0
• Molecular Formula: C12H8 N6
• Molecular Weight: 236.236
• Hs Code.: 29339900
• European Community (EC) Number: 626-669-4
• NSC Number: 238155
• DSSTox Substance ID: DTXSID30311116
• Nikkaji Number: J502.911B
• Wikidata: Q72469525
• ChEMBL ID: CHEMBL1519146
• Mol file: 1671-87-0.mol

Synonyms:3,6-di-2-pyridyl-1,2,4,5-tetrazine

Chemical Property of 3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine

Chemical Property:

• Vapor Pressure: 5.59E-10mmHg at 25°C
• Melting Point: 225 °C (dec.)(lit.)
• Refractive Index: 1.632
• Boiling Point: 509.1°Cat760mmHg
• PKA: -1.77±0.11(Predicted)
• Flash Point: 245.7°C
• PSA: 77.34000
• Density: 1.317g/cm³
• LogP: 1.39060
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 236.08104428
• Heavy Atom Count: 18
• Complexity: 227

Purity/Quality:

98%, ^*data from raw suppliers

3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NN=C(N=N2)C3=CC=CC=N3
• Uses: 3,6-Di-2-pyridyl-1,2,4,5-tetrazine may be used in the preparation of mononuclear, cyclic tetranuclear, and 1-D helical-chain Cu(II) complexes, via metal-assisted hydrolysis. It also may be used in the synthesis of novel cyclic tetranuclear ZnII complex and synthesis of substituted 3,6-di(2-pyridyl)pyridazines, via inverse electron demand Diels Alder reaction with alkenes or alkynes.

Technology Process of 3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine

There total 7 articles about 3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

2-Cyanopyridine (100-70-9,1232006-36-8) → 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine (1671-87-0)

Guidance literature:

2-Cyanopyridine; With hydrazine; Inert atmosphere; Reflux;

With sodium nitrite; In water; acetic acid; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/ejoc.200701115

Reference yield: 89.0%

3,6-di(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine (1671-86-9) → 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine (1671-87-0)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 20 ℃;

DOI:10.1039/c2cc16716f

Reference yield: 85.0%

N,N'-bis(picolinamide)azine (19081-87-9) → 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine (1671-87-0)

Guidance literature:

With nitric acid; acetic acid; In water; at 0 ℃;

upstream raw materials:

benzamidine hydrochloride dihydrate

2-cyano-pyridine hydrochloride

2-Cyanopyridine

N,N'-bis(picolinamide)azine

Downstream raw materials:

4,7-di-pyridin-2-yl-(3ar,7ac)-3a,7a-dihydro-3H-oxazolo[4,5-d]pyridazin-2-one

1,2,3,4-tetrachloroanthracene

3,6-di(pyridin-2'-yl)-s-tetrazine