3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Base Information

Chemical Name:3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS No.:109401-86-7
Molecular Formula:C₁₃H₁₄N₄O₂
Molecular Weight:258.28
Hs Code.:
DSSTox Substance ID:DTXSID801319868
ChEMBL ID:CHEMBL1478254

Synonyms:3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;Oprea1_307970;MLS001173558;CHEMBL1478254;DTXSID801319868;HMS2871F03;STL304708;AKOS003627767;AKOS022139653;109401-86-7;SMR000538877

Suppliers and Price of 3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Supply Marketing:

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

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Chemical Property of 3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:258.11167570
Heavy Atom Count:19
Complexity:325

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MSDS Files:

Useful:

Canonical SMILES:C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

There total 4 articles about 3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 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: