tetrazolo[1,5-a]quinoxalin-4(5H)-one

Base Information

• Chemical Name: tetrazolo[1,5-a]quinoxalin-4(5H)-one
• CAS No.: 29067-85-4
• Molecular Formula: C₈H₅N₅O
• Molecular Weight: 187.161
• DSSTox Substance ID: DTXSID10383139
• Wikidata: Q82174761
• ChEMBL ID: CHEMBL165324
• Mol file: 29067-85-4.mol

Synonyms:29067-85-4;tetrazolo[1,5-a]quinoxalin-4(5H)-one;5H-tetrazolo[1,5-a]quinoxalin-4-one;tetrazolo[1,5-a]quinoxalin-4-ol;CHEMBL165324;MFCD03013314;4H,5H-[1,2,3,4]TETRAZOLO[1,5-A]QUINOXALIN-4-ONE;BAS 04996433;SCHEMBL7623510;SCHEMBL8797747;DTXSID10383139;SECOVEPJEIBBPV-UHFFFAOYSA-N;HMS1652N12;tetrazolo[1,5-a]quinoxalin-4-one;BDBM50279844;STK661431;STK724642;AKOS000274312;AKOS002238490;NS-01694;CS-0047348;W15557;1,2,3,5,9b-Pentaazacyclopenta[a]naphthalen-4-ol;10.14272/SECOVEPJEIBBPV-UHFFFAOYSA-N.1;10.14272/SECOVEPJEIBBPV-UHFFFAOYSA-N.2;doi:10.14272/SECOVEPJEIBBPV-UHFFFAOYSA-N.1;doi:10.14272/SECOVEPJEIBBPV-UHFFFAOYSA-N.2;[1,2,3,4]tetraazolo[1,5-a]quinoxalin-4(5H)-one;[1,2,3,4]TETRAZOLO[1,5-A]QUINOXALIN-4-OL;5H-1,2,3,5,9b-Pentaaza-cyclopenta[a]naphthalen-4-one;F1983-0041

Chemical Property of tetrazolo[1,5-a]quinoxalin-4(5H)-one

Chemical Property:

• PSA: 75.94000
• LogP: -0.03420
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 187.04940980
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

tetrazolo[1,5-{a}]quinoxalin-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=O)C3=NN=NN23

Technology Process of tetrazolo[1,5-a]quinoxalin-4(5H)-one

There total 10 articles about tetrazolo[1,5-a]quinoxalin-4(5H)-one 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: 97.0%

3,3-diazidoindolin-2-one → tetrazolo[1,5-a]quinoxalin-4(5H)-one (29067-85-4)

Guidance literature:

In o-xylene; at 140 ℃; for 2h; regioselective reaction; Microwave irradiation;

DOI:10.1002/chem.201902131

Reference yield: 77.0%

2-oxoindole (59-48-3) → tetrazolo[1,5-a]quinoxalin-4(5H)-one (29067-85-4)

Guidance literature:

2-oxoindole; With sodium azide; iodine; In water; dimethyl sulfoxide; at 20 ℃;

In o-xylene; at 140 ℃; for 2h; Microwave irradiation;

DOI:10.1002/chem.201902131

Reference yield: 74.0%

3-hydrazineylidene-3,4-dihydroquinoxalin-2(1H)-one (31595-63-8) → tetrazolo[1,5-a]quinoxalin-4(5H)-one (29067-85-4)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.ejmech.2021.113558

upstream raw materials:

tetrazolo[1,5-a]quinoxaline

2-chloroquinoxaline

dihydrogen peroxide

quinoxalin-2⁽¹⁾-one

Downstream raw materials:

4-Chloro-tetrazolo[1,5-a]quinoxaline