2-Hydroxy-3-(4-nitrobenzyl)-2,4,6-cycloheptatrien-1-one

Base Information

Chemical Name:2-Hydroxy-3-(4-nitrobenzyl)-2,4,6-cycloheptatrien-1-one
CAS No.:105769-70-8
Molecular Formula:C14H11NO4
Molecular Weight:257.246
Hs Code.:
DSSTox Substance ID:DTXSID201347831
Nikkaji Number:J504.805B
Mol file:105769-70-8.mol

Synonyms:105769-70-8;2-hydroxy-3-(4-nitrobenzyl)-2,4,6-cycloheptatrien-1-one;3-(4-Nitrobenzyl)tropolone;DTXSID201347831;2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-[(4-nitrophenyl)methyl]-;2-hydroxy-3-[(4-nitrophenyl)-methyl]-cyclohepta-2,4,6-trien-1-one

Suppliers and Price of 2-Hydroxy-3-(4-nitrobenzyl)-2,4,6-cycloheptatrien-1-one

Supply Marketing:

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

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Chemical Property of 2-Hydroxy-3-(4-nitrobenzyl)-2,4,6-cycloheptatrien-1-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:257.06880783
Heavy Atom Count:19
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=O)C=C1)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-Hydroxy-3-(4-nitrobenzyl)-2,4,6-cycloheptatrien-1-one

There total 5 articles about 2-Hydroxy-3-(4-nitrobenzyl)-2,4,6-cycloheptatrien-1-one 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: 80.0%

: 112126-66-6
2-(p-nitrobenzyloxy)tropone

: 105769-70-8
3-(p-nitrobenzyl)tropolone

Guidance literature:: With 3,3'-dichlorobenzidine; at 180 ℃; for 12h;
DOI:10.1246/bcsj.60.1429

Reference yield: 69.0%

: 100-14-1
4-nitrobenzyl chloride

: 42887-09-2
potassium tropolonato

: 112126-66-6
2-(p-nitrobenzyloxy)tropone

: 105769-71-9
2-tropone

: 105769-70-8
3-(p-nitrobenzyl)tropolone

Guidance literature:: In N,N,N,N,N,N-hexamethylphosphoric triamide; at 50 ℃; for 10h;
DOI:10.1246/bcsj.60.1429

Reference yield:

: 42887-09-2
potassium tropolonato

: 105769-70-8
3-(p-nitrobenzyl)tropolone

Guidance literature:: Multi-step reaction with 2 steps

1: 69 percent / hexamethylphosphoric acid triamide / 10 h / 50 °C

2: 80 percent / DCB / 12 h / 180 °C

With 3,3'-dichlorobenzidine; In N,N,N,N,N,N-hexamethylphosphoric triamide;
DOI:10.1246/bcsj.60.1429