4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)-

Base Information

Chemical Name:4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)-
CAS No.:77796-15-7
Molecular Formula:C₂₂H₁₆F₂N₄
Molecular Weight:374.393
Hs Code.:
DSSTox Substance ID:DTXSID70999013
Mol file:77796-15-7.mol

Synonyms:BRN 4576796;77796-15-7;VUFB-14038;4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)-;9-fluoro-6-(4-fluorophenyl)-1-pyridin-3-yl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine;Oprea1_502103;DTXSID70999013;LIOUWBIBAYQJIE-UHFFFAOYSA-N;C22H16F2N4;C22-H16-F2-N4;LS-156284;AE-641/30153059;9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine;9-Fluoro-6-(4-fluorophenyl)-1-(pyridin-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

Suppliers and Price of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)-

Chemical Property:

Vapor Pressure:1.9E-12mmHg at 25°C
Boiling Point:557.1°Cat760mmHg
Flash Point:290.7°C
PSA：43.60000
Density:1.36g/cm³
LogP:4.68560
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:374.13430285
Heavy Atom Count:28
Complexity:527

Purity/Quality:

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=CN=CC=C5

Technology Process of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)-

There total 3 articles about 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-(3-pyridinyl)- 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

: 77796-15-7
9-Fluoro-6-(4-fluoro-phenyl)-1-pyridin-3-yl-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

: 77796-15-7
9-Fluoro-6-(4-fluoro-phenyl)-1-pyridin-3-yl-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