3,4-Dioxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate

Base Information

• Chemical Name: 3,4-Dioxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate
• CAS No.: 21758-86-1
• Molecular Formula: C15H9 N O3
• Molecular Weight: 251.241
• NSC Number: 81054
• DSSTox Substance ID: DTXSID00389403
• Wikidata: Q82185167
• ChEMBL ID: CHEMBL1330597
• Mol file: 21758-86-1.mol

Synonyms:21758-86-1;BAS 00634883;1,4-dioxo-3-(pyridinium-1-yl)-1,4-dihydronaphthalen-2-olate;1-(3-Oxido-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-15-pyridin-1-ylium;3,4-dioxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate;MLS000765886;CHEMBL1330597;DTXSID00389403;HMS2747C07;NSC81054;NSC-81054;STK338128;AKOS000523128;SMR000278992;1,4-dioxo-3-pyridinio-1,4-dihydronaphthalen-2-olate;1-(1-oxido-3,4-dioxo-3,4-dihydronaphthalen-2-yl)-1;3,4-Dioxo-2-(1-pyridiniumyl)-3,4-dihydro-1-naphthalenolate;1-(1-oxido-3,4-dioxo-3,4-dihydronaphthalen-2-yl)-1|E?-pyridin-1-ylium

Chemical Property of 3,4-Dioxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 251.058243149
• Heavy Atom Count: 19
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-]

Technology Process of 3,4-Dioxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate

There total 5 articles about 3,4-Dioxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate 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: 68.0%

pyridine (110-86-1) + 2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one (1214-47-7) → 1,4-dioxo-3-(pyridin-1-ium-1-yl)-1,4-dihydronaphthalen-2-olate (21758-86-1) + 12-benzoylnaphtho<2,3-b>indolizine-6,11-dione (3135-51-1)

Guidance literature:

With water; at 85 ℃; for 24h;

DOI:10.1039/d0ra06043g

Reference yield: 66.0%

pyridine (110-86-1) + 2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one (1214-47-7) → 1,4-dioxo-3-(pyridin-1-ium-1-yl)-1,4-dihydronaphthalen-2-olate (21758-86-1) + 12-(2-hydroxybenzoyl)benzo[f]pyrido[1,2-a]indole-6,11-dione

Guidance literature:

With water; at 85 ℃; for 24h;

DOI:10.1039/d0ra06043g

Reference yield: 65.0%

pyridine (110-86-1) + 2,3-Dichloro-1,4-naphthoquinone (117-80-6) + naringenin (480-41-1) → 1,4-dioxo-3-(pyridin-1-ium-1-yl)-1,4-dihydronaphthalen-2-olate (21758-86-1) + 12-(4-hydroxybenzoyl)benzo[f]pyrido[1,2-a]indole-6,11-dione

Guidance literature:

With water; at 85 ℃; for 24h;

DOI:10.1039/d0ra06043g

upstream raw materials:

pyridine

2,3-Dichloro-1,4-naphthoquinone

ethyl phenylsulfenylacetate

cyanoacetic acid amide

Downstream raw materials:

pyridine

1-hydroxy-isoquinoline-4-carboxylic acid

benzene-1,2-dicarboxylic acid

phthalonic acid