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

Base Information

• Chemical Name: 5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS No.: 78706-26-0
• Molecular Formula: C5H2 Cl2 N4
• Molecular Weight: 189.004
• Hs Code.: 2933998090
• European Community (EC) Number: 836-932-7
• DSSTox Substance ID: DTXSID10542108
• Wikidata: Q82418645
• Mol file: 78706-26-0.mol

Synonyms:5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;78706-26-0;5,7-Dichloro[1,2,4]triazolo[1,5-a]pyrimidine;MFCD10000845;[1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dichloro-;SCHEMBL9680379;DTXSID10542108;LQKFTGMXROMIGG-UHFFFAOYSA-N;AKOS006304271;AB56039;SY041872;5,7-dichloro-s-triazolo[1,5-a]pyrimidine;CS-0455690;C90543;EN300-156302;Z1198272586

Chemical Property of 5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine

Chemical Property:

• PSA: 43.08000
• LogP: 1.43110
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.9656515
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N2C(=NC=N2)N=C1Cl)Cl
• Uses: 5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine is used in the synthesis of triazolopyrimidine inhibitors displaying antimalarial activity.

Technology Process of 5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine

There total 4 articles about 5,7-Dichloro-[1,2,4]triazolo[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: 68.0%

[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol (40775-75-5) → 5,7-Dichlor-1,2,4-triazolo<1,5-a>pyrimidin (78706-26-0)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-aniline; for 1.5h; Reflux;

DOI:10.1021/jm200265b

Reference yield:

3-amino-1,2,4-triazole (61-82-5) + diethyl malonate (105-53-3) → 5,7-Dichlor-1,2,4-triazolo<1,5-a>pyrimidin (78706-26-0)

Guidance literature:

3-amino-1,2,4-triazole; diethyl malonate; With sodium ethanolate; In ethanol; Reflux;

With N,N-dimethyl-aniline; trichlorophosphate; Reflux;

DOI:10.1016/j.bmcl.2014.09.077

Reference yield:

4,5,6,7-tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5a]pyrimidine → 5,7-Dichlor-1,2,4-triazolo<1,5-a>pyrimidin (78706-26-0)

Guidance literature:

With trichlorophosphate; Reflux;

DOI:10.1016/j.bmc.2011.08.055

upstream raw materials:

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

3-amino-1,2,4-triazole

diethyl malonate

Downstream raw materials:

(5-Chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-nitro-phenyl)-amine

(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(4-methanesulfonyl-phenyl)-amine

(4-benzenesulfonyl-phenyl)-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine