2-(4-1,2,3-Thiadiazolyl)pyridine

Base Information

• Chemical Name: 2-(4-1,2,3-Thiadiazolyl)pyridine
• CAS No.: 176037-42-6
• Molecular Formula: C₇H₅N₃S
• Molecular Weight: 163.203
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30372742
• Nikkaji Number: J1.872.270D
• Wikidata: Q82160603
• ChEMBL ID: CHEMBL1631421
• Mol file: 176037-42-6.mol

Synonyms:2-(4-1,2,3-Thiadiazolyl)pyridine;176037-42-6;4-pyridin-2-ylthiadiazole;2-(1,2,3-Thiadiazol-4-yl)pyridine;4-(pyridin-2-yl)-1,2,3-thiadiazole;2-(1,2,3-thiadiazole-4-yl)pyridine;pyridylthiadiazole;SCHEMBL7312962;CHEMBL1631421;DTXSID30372742;BHA03742;2-[1,2,3]thiadiazol-4-ylpyridine;MFCD01109388;2-[1,2,3]thiadiazol-4-yl-pyridine;AKOS004904437;AS-31772;CS-0171468;A925230

Chemical Property of 2-(4-1,2,3-Thiadiazolyl)pyridine

Chemical Property:

• Melting Point: 163 °C
• Boiling Point: 307.4±34.0 °C(Predicted)
• PKA: -0.14±0.19(Predicted)
• PSA: 66.91000
• Density: 1.317±0.06 g/cm3(Predicted)
• LogP: 1.60010
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.02041835
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

2-(4-1,2,3-Thiadiazolyl)pyridine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=CSN=N2

Technology Process of 2-(4-1,2,3-Thiadiazolyl)pyridine

There total 6 articles about 2-(4-1,2,3-Thiadiazolyl)pyridine 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: 83.0%

2-acetyl-pyridine ethoxycarbonylhydrazon (85748-62-5) → 4-(2-pyridyl) 1,2,3-thiadiazole (176037-42-6)

Guidance literature:

With thionyl chloride; Ambient temperature;

DOI:10.1016/0040-4020(95)01103-X

Reference yield: 80.0%

C16H24N5O2S(1+)*CF3O3S(1-) (1402672-07-4) → 4-(2-pyridyl) 1,2,3-thiadiazole (176037-42-6)

Guidance literature:

With thionyl chloride; at 20 - 60 ℃; for 4h;

DOI:10.1021/jo301607a

Reference yield: 52.0%

4-methyl-N'-(1-pyridin-2-ylethylidene)benzenesulfonylhydrazide → 4-(2-pyridyl) 1,2,3-thiadiazole (176037-42-6)

Guidance literature:

With dipotassium peroxodisulfate; tetra-(n-butyl)ammonium iodide; sulfur; In N,N-dimethyl acetamide; at 100 ℃; for 2h; Sealed tube;

DOI:10.1021/acs.joc.5b02280

upstream raw materials:

2-acetyl-pyridine ethoxycarbonylhydrazon

2-acetylpyridine semicarbazone

N'-[(1E)-1-(pyridin-2-yl)ethylidene]-2-(quinolin-8-yloxy)acetohydrazone

C₁₆H₂₄N₅O₂S⁽¹⁺⁾*CF₃O₃S^(1-)