5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Base Information

• Chemical Name: 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• CAS No.: 33376-96-4
• Molecular Formula: C6H7N5
• Molecular Weight: 149.1533
• Hs Code.: 2933990090
• European Community (EC) Number: 850-052-0
• DSSTox Substance ID: DTXSID40187001
• Nikkaji Number: J542.836J,J886.436E
• Wikidata: Q83058501
• Mol file: 33376-96-4.mol

Synonyms:desdiethyl-trapidil;desdiethyltrapidil;N-dediethyltrapidil

Chemical Property of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 3.00±0.40(Predicted)
• Flash Point: °C
• PSA: 69.10000
• Density: 1.6g/cm³
• LogP: 0.59610
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.07014524
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl[1,2,4]triazolo[1,5-A]pyrimidin-7-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=NC=NN2C(=C1)N

Technology Process of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

There total 6 articles about 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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: 73.0%

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (24415-66-5) → 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (33376-96-4)

Guidance literature:

With ammonium hydroxide; for 1h;

DOI:10.1016/j.jinorgbio.2020.111235

Reference yield: 54.0%

3(5)-amino-1,2,4-triazole (61-82-5) + 3-hydroxycrotononitrile sodium salt (70807-22-6) → 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (33376-96-4)

Guidance literature:

With acetic acid; at 110 ℃; for 4h;

Reference yield:

4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine (35523-67-2) → 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (33376-96-4)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃

2: water; methanol; NaN₃

3: Raney nickel; methanol / Hydrogenation

With methanol; sodium azide; water; nickel; trichlorophosphate;

DOI:10.1021/jo01088a014

upstream raw materials:

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine

3⁽⁵⁾-amino-1,2,4-triazole

3-hydroxycrotononitrile sodium salt