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

Base Information

Chemical Name:9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
CAS No.:77796-09-9
Molecular Formula:C18H15F2N3
Molecular Weight:311.334
Hs Code.:
DSSTox Substance ID:DTXSID60999007
Mol file:77796-09-9.mol

Synonyms:77796-09-9;9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine;BRN 4546749;VUFB-14034;9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-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-methyl-;5,6-Dihydro-9-fluoro-6-(4-fluorophenyl)-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1)benzazepine;Oprea1_869132;DTXSID60999007;RPSFTORJNMCMSR-UHFFFAOYSA-N;C18H15F2N3;C18-H15-F2-N3;LS-156280;AE-641/30153058

Suppliers and Price of 9-fluoro-6-(4-fluorophenyl)-1-methyl-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

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

Chemical Property:

Vapor Pressure:9.99E-09mmHg at 25°C
Boiling Point:462.3°C at 760 mmHg
Flash Point:233.4°C
PSA：30.71000
Density:1.33g/cm³
LogP:3.93200
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:311.12340382
Heavy Atom Count:23
Complexity:413

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NN=C2N1C3=C(C=CC(=C3)F)C(CC2)C4=CC=C(C=C4)F

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

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

: 77796-17-9
8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-thione

: 1068-57-1
acetic acid hydrazide

: 3148-73-0
Diacetylhydrazin

: 77796-09-9
9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo<4,3-a>-1-benzazepine

Guidance literature:: In butan-1-ol; for 34h; Heating;
DOI:10.1135/cccc19810148

Reference yield:

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

: 77796-09-9
9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo<4,3-a>-1-benzazepine

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

: 77796-09-9
9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo<4,3-a>-1-benzazepine

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