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

Base Information

Chemical Name:4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-
CAS No.:77796-12-4
Molecular Formula:C₁₉H₁₇F₂N₃S
Molecular Weight:357.427
Hs Code.:
DSSTox Substance ID:DTXSID90999010

Synonyms:BRN 4565503;VUFB-14039;4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-;77796-12-4;C19H17F2N3S;DTXSID90999010;C19-H17-F2-N3-S;LS-156281;9-Fluoro-6-(4-fluorophenyl)-1-[(methylsulfanyl)methyl]-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-((methylthio)methyl)-

Supply Marketing:

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

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

Chemical Property:

Vapor Pressure:2.13E-10mmHg at 25°C
Boiling Point:506.9°Cat760mmHg
Flash Point:260.4°C
Density:1.35g/cm³
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:357.11112505
Heavy Atom Count:25
Complexity:446

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSCC1=NN=C2N1C3=C(C=CC(=C3)F)C(CC2)C4=CC=C(C=C4)F

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

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

: 77796-12-4
9-Fluoro-6-(4-fluoro-phenyl)-1-methylsulfanylmethyl-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

: 77796-12-4
9-Fluoro-6-(4-fluoro-phenyl)-1-methylsulfanylmethyl-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