8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

Base Information

• Chemical Name: 8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
• CAS No.: 68774-78-7
• Molecular Formula: C6H5ClN4
• Molecular Weight: 168.585
• Hs Code.: 2933990090
• NSC Number: 293353
• DSSTox Substance ID: DTXSID70315234
• Wikidata: Q82068139
• Mol file: 68774-78-7.mol

Synonyms:8-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine;68774-78-7;8-chloro-3-methyl-1,2,4-Triazolo[4,3-a]pyrazine;NSC 293353;8-chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine;NSC293353;SCHEMBL3123909;DTXSID70315234;MFCD08272087;STL135923;AKOS005746493;AB44329;BS-3633;NSC-293353;CS-0071363;FT-0762473;EN300-62151;A866979;F8881-5527;Z979438818

Chemical Property of 8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -0.33±0.30(Predicted)
• Flash Point: °C
• PSA: 43.08000
• Density: 1.59g/cm³
• LogP: 1.08610
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.0202739
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

8-Chloro-3-methyl-1,2,4-triazolo[4,3-a]pyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C=CN=C2Cl
• Uses: 8-Chloro-3-methyl-1,2,4-triazolo[4,3-a]pyrazine is used as a reagent to synthesize derivatives of Formycin, a C-nucleoside antibiotic that inhibits the influenza A virus and is also known to replace adenosine during transcription.

Technology Process of 8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

There total 3 articles about 8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine 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: 84.0%

Triethyl orthoacetate (78-39-7) + 2-chloro-3-hydrazinopyrazine (63286-28-2) → 8-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (68774-78-7)

Guidance literature:

at 80 ℃;

Reference yield:

Trimethyl orthoacetate (1445-45-0) + 2-chloro-3-hydrazinopyrazine (63286-28-2) → 8-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (68774-78-7)

Guidance literature:

at 130 ℃; for 3h;

Reference yield:

→ 8-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (68774-78-7)

Guidance literature:

Pyrazin, Orthoameisensaeure-triaethylester; 3-Methyl-s-triazolo<4,3-a>pyrazin-8- ol, POCl3, N,N-Diaethyl-anilin;

DOI:10.1021/jo01321a002

upstream raw materials:

Triethyl orthoacetate

2-chloro-3-hydrazinopyrazine

Trimethyl orthoacetate

Refernces

• 1、 -. "PYRIDAZINIUM COMPOUNDS FOR USE IN CONTROLLING UNWANTED PLANT GROWTH". Page/Page column 57-58. . Retrieved 2020/08/22.
• 2、 Ali, Imran,Lee, Jooyun,Go, Areum,Choi, Gildon,Lee, Kwangho. "Discovery of novel [1,2,4]triazolo[4,3-a]quinoxaline aminophenyl derivatives as BET inhibitors for cancer treatment". . p. 4606 - 4613. Retrieved 2017/09/29.