1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-

Base Information

Chemical Name:1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-
CAS No.:78131-59-6
Molecular Formula:C16H12N4
Molecular Weight:0
Hs Code.:2933990090
DSSTox Substance ID:DTXSID00228787
Nikkaji Number:J342.287I
ChEMBL ID:CHEMBL123000
Mol file:78131-59-6.mol

Synonyms:78131-59-6;BRN 5961818;1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-;6-Phenyl-2H,4H-(1,2,3)triazolo(4,5-d)(2)benzazepine;2,4-Dihydro-6-phenyl-1,2,3-triazolo(4,5-d)(2)benzazepine;2,4-Dihydro-6-phenyl-1,2,3-triazolo[4,5-d][2]benzazepine;6-phenyl-2H,4H-[1,2,3]triazolo[4,5-d][2]benzazepine;CHEMBL123000;SCHEMBL9447814;DTXSID00228787;QNQHIWFLURTUTI-UHFFFAOYSA-N;LS-156285;6-phenyl-2H,4H[1,2,3]triazolo[4,5-d][2]benzazepine;6-phenyl-2H, 4H-[1,2,3]triazolo[4,5-d][2]benzazepine

Suppliers and Price of 1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-

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

Total 3 raw suppliers

Chemical Property of 1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-

Chemical Property:

Vapor Pressure:1.3E-09mmHg at 25°C
Boiling Point:499.3°C at 760 mmHg
Flash Point:255.8°C
PSA：53.93000
Density:1.33g/cm³
LogP:2.25830
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:260.106196400
Heavy Atom Count:20
Complexity:375

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=NNN=C2C3=CC=CC=C3C(=N1)C4=CC=CC=C4

Technology Process of 1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-

There total 3 articles about 1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl- 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: 91.0%

: 83948-84-9
4-[2-Benzoylphenyl]-5-[N-phthalimidomethyl]-2H-1,2,3-triazole

: 78131-59-6
6-phenyl-2H,4H-[1,2,3]triazolo[4,5-d][2]benzazepine

Guidance literature:: With methylamine; In ethanol; for 12h; Ambient temperature;
DOI:10.1021/jm00357a011

Reference yield:

: 76049-56-4
1-(2-benzoylphenyl)-3-phthalimidopropyne

: 78131-59-6
6-phenyl-2H,4H-[1,2,3]triazolo[4,5-d][2]benzazepine

Guidance literature:: Multi-step reaction with 2 steps

1: 66 percent / sodium azide, acetic acid / dimethylsulfoxide / 60 h / 90 °C

2: 91 percent / 40 percent aq. methylamine / ethanol / 12 h / Ambient temperature

With sodium azide; acetic acid; methylamine; In ethanol; dimethyl sulfoxide;
DOI:10.1021/jm00357a011