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

Base Information

Chemical Name:1-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
CAS No.:77796-14-6
Molecular Formula:C₂₄H₁₉F₂N₃
Molecular Weight:387.432
Hs Code.:
DSSTox Substance ID:DTXSID10999012
Mol file:77796-14-6.mol

Synonyms:BRN 4586671;77796-14-6;VUFB-14036;1-benzyl-9-fluoro-6-(4-fluorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine;4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(phenylmethyl)-;DTXSID10999012;SKMSJYQFUZGGJN-UHFFFAOYSA-N;C24H19F2N3;C24-H19-F2-N3;LS-156283;AE-641/00192005

Suppliers and Price of 1-benzyl-9-fluoro-6-(4-fluorophenyl)-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
1-BENZYL-9-FLUORO-6-(4-FLUOROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]TRIAZOLO[4,3-A][1]BENZAZEPINE 95.00%
5MG
$ 499.62

Total 0 raw suppliers

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

Chemical Property:

Vapor Pressure:2.05E-12mmHg at 25°C
Boiling Point:556.4°C at 760 mmHg
Flash Point:290.3°C
PSA：30.71000
Density:1.28g/cm³
LogP:5.21440
XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:387.15470394
Heavy Atom Count:29
Complexity:532

Purity/Quality:: 1-BENZYL-9-FLUORO-6-(4-FLUOROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]TRIAZOLO[4,3-A][1]BENZAZEPINE 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)CC5=CC=CC=C5

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

There total 3 articles about 1-benzyl-9-fluoro-6-(4-fluorophenyl)-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

: 77796-14-6
1-Benzyl-9-fluoro-6-(4-fluoro-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

: 77796-14-6
1-Benzyl-9-fluoro-6-(4-fluoro-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