4-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

Base Information

• Chemical Name: 4-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
• CAS No.: 91895-40-8
• Molecular Formula: C11H9ClN4
• Molecular Weight: 232.672
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60539008
• Nikkaji Number: J2.635.294K
• Wikidata: Q82414606
• Mol file: 91895-40-8.mol

Synonyms:4-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline;91895-40-8;4-chloro-1-ethyl[1,2,4]triazolo[4,3-a]quinoxaline;SCHEMBL7340895;DTXSID60539008;TQR0784;LFJRTFZMVFGBTB-UHFFFAOYSA-N;AKOS016013497;4-chloro-1-ethyl [1,2,4]triazolo[4,3-a]quinoxaline;4-Chloro-1-ethyl-[1,2,4]triazolo-[4,3-a]quinoxaline

Chemical Property of 4-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

Chemical Property:

• PSA: 43.08000
• LogP: 2.49330
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 232.0515740
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=NN=C2N1C3=CC=CC=C3N=C2Cl

Technology Process of 4-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

There total 5 articles about 4-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline 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%

Triethyl orthopropionate (115-80-0) + 2‐chloro‐3‐hydrazinylquinoxaline (51347-93-4) → 4-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (91895-40-8)

Guidance literature:

at 100 ℃; for 3h;

DOI:10.1021/jm00170a031

Reference yield: 85.0%

1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one → 4-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (91895-40-8)

Guidance literature:

With thionyl chloride; In 1,2-dichloro-ethane; N,N-dimethyl-formamide; for 6h; Reflux;

DOI:10.3390/molecules23010048

Reference yield: 85.0%

→ 4-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (91895-40-8)

Guidance literature:

upstream raw materials:

Triethyl orthopropionate

2‐chloro‐3‐hydrazinylquinoxaline

2,3-dichloroquinoxaline

2,3-dihydroxyquinoxaline

Downstream raw materials:

N-cyclohexyl-1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C₂₄H₁₉N₇

Refernces

• 1、 Afifi, Tarek H.,Ahmed, Hany E. A.,Alswah, Mohamed,Bayoumi, Ashraf H.,El-Gamal, Kamal M.,El-Morsy, Ahmed,Ghiaty, Adel,Mansour, Baseem Awad,Mohammed, Adel Saad,Omar, Abdelsattar M.,Sherbiny, Farag F.. "Antimicrobial screening and pharmacokinetic profiling of novel phenyl-[1,2,4]triazolo[4,3-a]quinoxaline analogues targeting DHFR and E. coli DNA gyrase B". . . Retrieved 2020/02/18.
• 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.