9-fluoro-6-(4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

Base Information

Chemical Name:9-fluoro-6-(4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
CAS No.:77796-13-5
Molecular Formula:C₂₃H₁₇F₂N₃
Molecular Weight:373.405
Hs Code.:
DSSTox Substance ID:DTXSID50999011
Mol file:77796-13-5.mol

Synonyms:77796-13-5;9-fluoro-6-(4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine;BRN 4571495;VUFB-14037;4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-phenyl-;5,6-Dihydro-9-fluoro-6-(4-fluorophenyl)-1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1)benzazepine;DTXSID50999011;DQGNKQABFIIAHK-UHFFFAOYSA-N;C23H17F2N3;C23-H17-F2-N3;LS-156282;AE-641/00192006

Suppliers and Price of 9-fluoro-6-(4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

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

American Custom Chemicals Corporation
4H-(1,2,4)TRIAZOLO(4,3-A)(1)BENZAZEPINE, 5,6-DIHYDRO-9-FLUORO-6-(4-FLU OROPHENYL)-1-PHENYL- 95.00%
5MG
$ 496.16

Total 0 raw suppliers

Chemical Property of 9-fluoro-6-(4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

Chemical Property:

Vapor Pressure:1.44E-11mmHg at 25°C
Boiling Point:536.2°C at 760 mmHg
Flash Point:278.1°C
PSA：30.71000
Density:1.3g/cm³
LogP:5.29060
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:373.13905388
Heavy Atom Count:28
Complexity:518

Purity/Quality:: 4H-(1,2,4)TRIAZOLO(4,3-A)(1)BENZAZEPINE, 5,6-DIHYDRO-9-FLUORO-6-(4-FLU OROPHENYL)-1-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=NN=C(N2C3=C(C1C4=CC=C(C=C4)F)C=CC(=C3)F)C5=CC=CC=C5

Technology Process of 9-fluoro-6-(4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

There total 3 articles about 9-fluoro-6-(4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine 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:

: 68351-37-1
8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

: 77796-13-5
9-Fluoro-6-(4-fluoro-phenyl)-1-phenyl-5,6-dihydro-4H-2,3,10b-triaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 2 steps

1: P₂S₅ / pyridine / 0.75 h / Heating

2: butan-1-ol / 34 h / Heating

With tetraphosphorus decasulfide; In pyridine; butan-1-ol;
DOI:10.1135/cccc19810148

Reference yield:

: 68351-22-4
7-fluoro-4-(4-fluorophenyl)-1-tetralone oxime

: 77796-13-5
9-Fluoro-6-(4-fluoro-phenyl)-1-phenyl-5,6-dihydro-4H-2,3,10b-triaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 3 steps

1: 68 percent / polyphosphoric acid / 130 °C

2: P₂S₅ / pyridine / 0.75 h / Heating

3: butan-1-ol / 34 h / Heating

With PPA; tetraphosphorus decasulfide; In pyridine; butan-1-ol;
DOI:10.1135/cccc19810148