3,5-di(2-pyridyl)-1H-1,2,4-triazole

Base Information

• Chemical Name: 3,5-di(2-pyridyl)-1H-1,2,4-triazole
• CAS No.: 1671-85-8
• Molecular Formula: C12H9 N5
• Molecular Weight: 223.237
• NSC Number: 234945
• DSSTox Substance ID: DTXSID40310973
• Nikkaji Number: J934.045I
• Wikidata: Q82060271
• ChEMBL ID: CHEMBL260311
• Mol file: 1671-85-8.mol

Synonyms:1671-85-8;2,2'-(1H-1,2,4-Triazole-3,5-diyl)dipyridine;3,5-di(2-pyridyl)-1H-1,2,4-triazole;MLS000756564;2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pyridine;CHEMBL260311;NSC-234945;2,2'-(4H-1,2,4-triazole-3,5-diyl)dipyridine;2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine;NSC234945;triazole-dipyridine, A;CBMicro_026383;ChemDiv2_001071;MLS000061610;SCHEMBL5478697;SCHEMBL8311588;Pyridine, 2,2'-(1H-1,2,4-triazole-3,5-diyl)bis-;BDBM21213;DTXSID40310973;HMS1372O13;HMS2463C07;STK979738;AKOS000361454;AKOS002283784;NSC 234945;SDCCGMLS-0064415.P001;SMR000069940;SMR000448995;3,5-di(2-pyridyl)-4h-1,2,4-triazole;BIM-0026411.P001;3,5-bis(pyridine-2-yl)-1,2,4-triazole;BB 0222265;MLS-0036314.0001;2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine;2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine;BRD-K06072088-001-08-6;2-(5-pyridin-2-yl-1H-[1,2,4]triazol-3-yl)-pyridine;2-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]pyridine;Z3220001703;Pyridine, 2-[5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]-

Chemical Property of 3,5-di(2-pyridyl)-1H-1,2,4-triazole

Chemical Property:

• Melting Point: 217-218 °C
• Boiling Point: 505.3°Cat760mmHg
• PKA: 7.54±0.19(Predicted)
• Flash Point: 245.2°C
• PSA: 67.35000
• Density: 1.303g/cm³
• LogP: 1.92870
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.08579531
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

98.5% ^*data from raw suppliers

2,2'-(1H-1,2,4-Triazole-3,5-diyl)dipyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NC(=NN2)C3=CC=CC=N3

Technology Process of 3,5-di(2-pyridyl)-1H-1,2,4-triazole

There total 10 articles about 3,5-di(2-pyridyl)-1H-1,2,4-triazole 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: 91.0%

4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole (1671-88-1) → 3,5-bis(2-pyridyl)-4-hydro-1,2,4-triazole (1671-85-8)

Guidance literature:

4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole; With nitric acid; at 40 ℃; for 0.5h;

With sodium nitrite; In water; at 0 ℃; for 0.5h;

DOI:10.1021/acs.inorgchem.7b02633

Reference yield: 61.0%

2-Cyanopyridine (100-70-9,1232006-36-8) + picolinic acid hydrazide (1452-63-7) → 3,5-di(pyridin-2-yl)-1,2,4-triazole (1671-85-8)

Guidance literature:

at 140 ℃; for 24h;

DOI:10.1002/hlca.19970800204

Reference yield: 52.0%

2-Cyanopyridine (100-70-9,1232006-36-8) → 3,5-di(pyridin-2-yl)-1,2,4-triazole (1671-85-8)

Guidance literature:

2-Cyanopyridine; With hydrazine hydrate; at 100 ℃; for 12h;

With pyridine-2-carbaldehyde; at 100 ℃; for 6h; Further stages;

DOI:10.1016/j.tetlet.2012.03.001

upstream raw materials:

2-Cyanopyridine

picolinic acid hydrazide

methyl pyridine-2-imidate

(3,5-bis(2-pyridyl)-4H-1,2,4-triazolato)copper(I)

Downstream raw materials:

1-benzyl-3,5-di(2'-pyridyl)-1,2,4-triazole

C₃₀H₂₀N₆

C₃₀H₂₀N₆

Refernces

• 1、 Geldard,J.F.,Lions,F.. "-". . p. 318 - 319. Retrieved 1965.
• 2、 Giri, Bishnubasu,Karumban, Kalai Selvan,Kumbhakar, Sadananda,Maji, Somnath,Muley, Arabinda. "High phenoxazinone synthase activity of two mononuclear: Cis -dichloro cobalt(ii) complexes with a rigid pyridyl scaffold". . p. 521 - 532. Retrieved 2022/01/22.
• 3、 -. "One-pot method for synthetizing 3,5-disubstituted-1,2,4-triazole compounds". Paragraph 0021-0024. . Retrieved 2017/01/23.