[1,2,4]Triazolo[5,1-b]quinazolin-9(3H)-one, 3-(4-chlorophenyl)-2-methyl-

Base Information

Chemical Name:[1,2,4]Triazolo[5,1-b]quinazolin-9(3H)-one, 3-(4-chlorophenyl)-2-methyl-
CAS No.:95353-74-5
Molecular Formula:C16H11ClN4O
Molecular Weight:310.743
Hs Code.:
DSSTox Substance ID:DTXSID80459956
Wikidata:Q82283849

Synonyms:95353-74-5;3-(4-Chlorophenyl)-2-methyl-[1,2,4]triazolo[5,1-b]quinazolin-9(3H)-one;[1,2,4]Triazolo[5,1-b]quinazolin-9(3H)-one, 3-(4-chlorophenyl)-2-methyl-;DTXSID80459956

Suppliers and Price of [1,2,4]Triazolo[5,1-b]quinazolin-9(3H)-one, 3-(4-chlorophenyl)-2-methyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of [1,2,4]Triazolo[5,1-b]quinazolin-9(3H)-one, 3-(4-chlorophenyl)-2-methyl-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:310.0621387
Heavy Atom Count:22
Complexity:538

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NN2C(=O)C3=CC=CC=C3N=C2N1C4=CC=C(C=C4)Cl

Technology Process of [1,2,4]Triazolo[5,1-b]quinazolin-9(3H)-one, 3-(4-chlorophenyl)-2-methyl-

There total 4 articles about [1,2,4]Triazolo[5,1-b]quinazolin-9(3H)-one, 3-(4-chlorophenyl)-2-methyl- 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: 98.0%

: 95241-44-4
3-amino-2-[(4-chlorophenyl)amino]-4(3H)-quinazolinone

: 75-36-5
acetyl chloride

: 95353-74-5
3-(4-chlorophenyl)-2-methyl-1,2,4-triazolo[5,1-b]quinazolin-9(3H)-one

Guidance literature:: In acetic acid; for 3h; Heating;

Reference yield: 68.0%

: 75-36-5
acetyl chloride

: 797005-21-1
N-[2-(4-chlorphenyl)amino-3H-quinazolin-4-on-3-yl]iminotriphenylphosphorane

: 95353-74-5
3-(4-chlorophenyl)-2-methyl-1,2,4-triazolo[5,1-b]quinazolin-9(3H)-one

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃;
DOI:10.1002/ejoc.200400185

Reference yield:

: 104-12-1
p-chlorphenylisocyanate

: 95353-74-5
3-(4-chlorophenyl)-2-methyl-1,2,4-triazolo[5,1-b]quinazolin-9(3H)-one

Guidance literature:: Multi-step reaction with 4 steps

1: CH₂Cl₂ / 0 - 5 °C

2: 1.03 g / hydrazine hydrate / ethanol / 0.17 h / 20 °C

3: 76 percent / NEt₃; C₂Cl₆ / CH₂Cl₂ / 20 °C

4: 68 percent / triethylamine / CH₂Cl₂ / 20 °C

With hexachloroethane; hydrazine hydrate; triethylamine; In ethanol; dichloromethane; 1: aza-Wittig reaction / 4: aza-Wittig reaction;
DOI:10.1002/ejoc.200400185