1-Ethenyl-1H-tetrazole

Base Information

• Chemical Name: 1-Ethenyl-1H-tetrazole
• CAS No.: 17578-18-6
• Molecular Formula: C3H4N4
• Molecular Weight: 96.0916
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30508963
• Nikkaji Number: J467.694G
• Wikidata: Q82366218
• Mol file: 17578-18-6.mol

Synonyms:1-Ethenyl-1H-tetrazole;17578-18-6;1-ethenyltetrazole;1H-Tetrazole, 1-ethenyl-;1-VINYLTETRAZOLE;1-ethenyl-1H-1,2,3,4-tetrazole;n-vinyltetrazole;DTXSID30508963;AKOS006332454;EN300-2008974

Chemical Property of 1-Ethenyl-1H-tetrazole

Chemical Property:

• PSA: 43.60000
• LogP: -0.22640
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 96.043596145
• Heavy Atom Count: 7
• Complexity: 71.3

Purity/Quality:

99% ^*data from raw suppliers

1-VINYLTETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CN1C=NN=N1

Technology Process of 1-Ethenyl-1H-tetrazole

There total 8 articles about 1-Ethenyl-1H-tetrazole 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: 85.0%

1H-tetrazole (288-94-8) + vinyl acetate (108-05-4,9003-20-7) → 1-vinyltetrazole (17578-18-6)

Guidance literature:

With mercury(II) diacetate; hydroquinone; trifluoroacetic acid; at 73 ℃; for 2h;

DOI:10.1023/A:1020874201056

Reference yield: 45.0%

1H-tetrazole (288-94-8) + ethylene dibromide (106-93-4) → 2-vinyl-2H-tetrazole (17586-99-1) + 1-vinyltetrazole (17578-18-6)

Guidance literature:

With triethylamine; In acetonitrile; regioselective reaction; Reflux;

DOI:10.1134/S1070428011120177

Reference yield:

1H-tetrazole (288-94-8) + vinyl acetate (108-05-4,9003-20-7) → 2-vinyl-2H-tetrazole (17586-99-1) + 1-vinyltetrazole (17578-18-6)

Guidance literature:

boron trifluoride diethyl etherate; mercury(II) diacetate; In various solvent(s); at 50 - 55 ℃; for 2h; Yields of byproduct given;

upstream raw materials:

1H-tetrazole

2-chloro-ethanol

vinyl acetate

1-(2-hydroxyethyl)tetrazole

Downstream raw materials:

1H-imidazole

trans-1-(2-phenylvinyl)-5-phenyltetrazole