4-(4-nitrobenzyl)phthalazin-1(2H)-one

Base Information

Chemical Name:4-(4-nitrobenzyl)phthalazin-1(2H)-one
CAS No.:62970-28-9
Molecular Formula:C15H11N3O3
Molecular Weight:281.271
Hs Code.:
DSSTox Substance ID:DTXSID10358685
Wikidata:Q82139443
ChEMBL ID:CHEMBL1353965

Synonyms:4-(4-nitrobenzyl)phthalazin-1(2H)-one;62970-28-9;ZINC00493033;Oprea1_401856;MLS001163889;CHEMBL1353965;DTXSID10358685;HMS2883F11;4-(4-nitrobenzyl)phthalazin-1-ol;STL321368;STL559710;AKOS022142263;AKOS037516733;SMR000539362

Suppliers and Price of 4-(4-nitrobenzyl)phthalazin-1(2H)-one

Supply Marketing:

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

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Chemical Property of 4-(4-nitrobenzyl)phthalazin-1(2H)-one

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:281.08004122
Heavy Atom Count:21
Complexity:450

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 4-(4-nitrobenzyl)phthalazin-1(2H)-one

There total 5 articles about 4-(4-nitrobenzyl)phthalazin-1(2H)-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: 43.0%

: 32003-14-8
4-benzyl-2H-phthalazin-1-one

: 4-(2-nitrophenyl)methyl-1-(2H)-phthalazinone

: 62970-28-9
4-(4-nitrophenyl)methyl-1-(2H)-phthalazinone

Guidance literature:: With potassium nitrate; trifluoroacetic acid; at 0 ℃; for 20h;
DOI:10.1016/j.ejmech.2015.08.002

Reference yield:

: 100-52-7
benzaldehyde

: 62970-28-9
4-(4-nitrophenyl)methyl-1-(2H)-phthalazinone

Guidance literature:: Multi-step reaction with 3 steps

1: sodium methylate / methanol / 2 h / Reflux

2: hydrazine hydrate / 6 h / 100 °C

3: trifluoroacetic acid; potassium nitrate / 20 h / 0 °C

With sodium methylate; hydrazine hydrate; potassium nitrate; trifluoroacetic acid; In methanol;
DOI:10.1016/j.ejmech.2015.08.002

Reference yield:

: 87-41-2
2-benzofuran-1(3H)-one

: 62970-28-9
4-(4-nitrophenyl)methyl-1-(2H)-phthalazinone

Guidance literature:: Multi-step reaction with 3 steps

1: sodium methylate / methanol / 2 h / Reflux

2: hydrazine hydrate / 6 h / 100 °C

3: trifluoroacetic acid; potassium nitrate / 20 h / 0 °C

With sodium methylate; hydrazine hydrate; potassium nitrate; trifluoroacetic acid; In methanol;
DOI:10.1016/j.ejmech.2015.08.002