5-bromo-2-(1H-tetrazol-1-yl)pyridine

Base Information

• Chemical Name: 5-bromo-2-(1H-tetrazol-1-yl)pyridine
• CAS No.: 296796-44-6
• Molecular Formula: C6H4BrN5
• Molecular Weight: 226.03300
• DSSTox Substance ID: DTXSID30399752
• Wikidata: Q82202464
• Mol file: 296796-44-6.mol

Synonyms:296796-44-6;5-bromo-2-(1H-tetrazol-1-yl)pyridine;5-bromo-2-(tetrazol-1-yl)pyridine;Pyridine, 5-bromo-2-(1H-tetrazol-1-yl)-;2-(1-Tetrazolyl)-5-bromopyridine;5-BROMO-2-(1H-1,2,3,4-TETRAZOL-1-YL)PYRIDINE;SCHEMBL3220542;DTXSID30399752;YBMHJWFLYFYWBM-UHFFFAOYSA-N;MFCD00472969;AKOS015969571;FT-0732042;D78659;SR-01000507339;SR-01000507339-1

Chemical Property of 5-bromo-2-(1H-tetrazol-1-yl)pyridine

Chemical Property:

• PSA: 56.49000
• LogP: 0.81980
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.96501
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

5-bromo-2-(tetrazol-1-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1Br)N2C=NN=N2

Technology Process of 5-bromo-2-(1H-tetrazol-1-yl)pyridine

There total 5 articles about 5-bromo-2-(1H-tetrazol-1-yl)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: 87.0%

5-bromo-2-pyridylamine (1072-97-5) + trimethyl orthoformate (149-73-5) → 5-bromo-2-( 1H-tetrazol-1-yl)pyridine (296796-44-6)

Guidance literature:

With sodium azide; In acetic acid; at 20 - 80 ℃; for 5h;

Reference yield:

5-bromo-2-pyridylamine (1072-97-5) + orthoformic acid triethyl ester (122-51-0) → 5-bromo-2-( 1H-tetrazol-1-yl)pyridine (296796-44-6)

Guidance literature:

With sodium azide; acetic acid; at 80 ℃; for 1h;

Reference yield:

6-bromopyridine-3-amine (13534-97-9) + orthoformic acid triethyl ester (122-51-0) → 5-bromo-2-( 1H-tetrazol-1-yl)pyridine (296796-44-6)

Guidance literature:

6-bromopyridine-3-amine; With trimethylsilyl trifluoroacetate; In ethyl acetate; at 20 ℃; for 0.0833333h;

orthoformic acid triethyl ester; In ethyl acetate; for 0.0833333h;

With trimethylsilylazide; In ethyl acetate; at 20 ℃; for 48h;

upstream raw materials:

1H-tetrazole

2,5-dibromopyridine

5-bromo-2-pyridylamine

trimethyl orthoformate