Tetrazolo[1,5-a]pyrimidine

Base Information

• Chemical Name: Tetrazolo[1,5-a]pyrimidine
• CAS No.: 275-03-6
• Molecular Formula: C4H3 N5
• Molecular Weight: 121.101
• NSC Number: 409071
• UNII: 3E8GPT6S7S
• DSSTox Substance ID: DTXSID90325178
• Nikkaji Number: J1.302.700E
• Wikidata: Q82085344
• Mol file: 275-03-6.mol

Synonyms:tetrazolo(1,5-a)pyrimidine

Chemical Property of Tetrazolo[1,5-a]pyrimidine

Chemical Property:

• Density: 1.74g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 121.03884512
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=NN=N2)N=C1

Technology Process of Tetrazolo[1,5-a]pyrimidine

There total 2 articles about Tetrazolo[1,5-a]pyrimidine 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:

5-aminotetrazole (4418-61-5) + 3c-ethoxy-propenal (57155-16-5) → tetrazolo[1,5-a]pyrimidine (275-03-6)

Guidance literature:

In acetic acid; for 1h; Yield given; Heating;

Reference yield:

→ tetrazolo[1,5-a]pyrimidine (275-03-6)

Guidance literature:

DOI:10.1016/S0040-4039(00)93877-2 DOI:10.1016/S0040-4020(01)93149-7

Reference yield: 76.0%

2-methyl-3-bromo-1-propene (1458-98-6) + N-(but-3-yn-2-yl)-2-chloro-3-(trifluoromethyl)benzamide + tetrazolo[1,5-a]pyrimidine (275-03-6) → 2-chloro-N-(1-(5-(2-methylallyl)-1-(pyrimidin-2-yl)-1H-1,2,3-triazol-4-yl)ethyl)-3-(trifluoromethyl)benzamide

Guidance literature:

With copper(l) iodide; caesium carbonate; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.joc.5b02174

upstream raw materials:

5-aminotetrazole

3c-ethoxy-propenal

Downstream raw materials:

2-aminopyrimidine

(4-methoxy-phenyl)-pyrimidin-2-yl-amine

(3-chloro-phenyl)-pyrimidin-2-yl-amine

biphenyl