1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-chlorophenyl)-

Base Information

• Chemical Name: 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-chlorophenyl)-
• CAS No.: 136633-12-0
• Molecular Formula: C18H10ClN5S
• Molecular Weight: 363.8235
• DSSTox Substance ID: DTXSID80159868
• Nikkaji Number: J1.181.241D
• Mol file: 136633-12-0.mol

Synonyms:1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-chlorophenyl)-;3-(4-Chlorophenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline;136633-12-0;3-(4-Chlorophenyl)-1,2,4-triazolo[3',4':2,3][1,3,4]thiadiazepino[7,6-b]quinoline;C18H10ClN5S;C18-H10-Cl-N5-S;DTXSID80159868;LS-156868

Chemical Property of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-chlorophenyl)-

Chemical Property:

• Boiling Point: 699.9°Cat760mmHg
• Flash Point: 377.1°C
• Density: 1.56g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 363.0345442
• Heavy Atom Count: 25
• Complexity: 512

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=NN4C(=NN=C4SC3=N2)C5=CC=C(C=C5)Cl

Technology Process of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-chlorophenyl)-

There total 2 articles about 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-chlorophenyl)- 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: 93.0%

2-chloro-3-quinoline carboxaldehyde (73568-25-9) + 4-amino-5-mercapto-3-(4-chlorophenyl)-1,2,4-triazole (68468-95-1) → 3-(4'-chlorophenyl)-(1:2:4)-triazolo-[3,4-b](1,3,4)thiadiazepino(6,7-3,2)quinoline (136633-12-0)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; for 0.5h; Heating;

DOI:10.1080/00397919908085981

Reference yield:

4-amino-5-mercapto-3-(4-chlorophenyl)-1,2,4-triazole (68468-95-1) + 2-hydroxyquinoline-3-carboxaldehyde (91301-03-0) → 3-(4'-chlorophenyl)-(1:2:4)-triazolo-[3,4-b](1,3,4)thiadiazepino(6,7-3,2)quinoline (136633-12-0)

Guidance literature:

With sulfuric acid; In ethanol; Heating;

Reference yield: 98.0%

3-(4'-chlorophenyl)-(1:2:4)-triazolo-[3,4-b](1,3,4)thiadiazepino(6,7-3,2)quinoline (136633-12-0) → 3-(4-chlorophenyl)-5-imino-5H-(1:2:4)-triazolo[3,4-b]-1,3-thiazino(5,6-3,2)quinoline

Guidance literature:

With potassium hydroxide; In methanol; for 8h; Heating;

DOI:10.1080/00397919908085981

upstream raw materials:

2-chloro-3-quinoline carboxaldehyde

4-amino-5-mercapto-3-(4-chlorophenyl)-1,2,4-triazole

2-hydroxyquinoline-3-carboxaldehyde