1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-

Base Information

• Chemical Name: 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-
• CAS No.: 5466-47-7
• Molecular Formula: C16H9N3O2
• Molecular Weight: 275.266
• NSC Number: 26339
• DSSTox Substance ID: DTXSID60203116
• Nikkaji Number: J3.484.120I
• Wikidata: Q83076473
• Pharos Ligand ID: ZN4XV6QHL7AH
• ChEMBL ID: CHEMBL4300931

Synonyms:5466-47-7;1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-;NSC26339;IDO1/TDO-IN-2;CHEMBL4300931;3-phenylbenzo[f]benzotriazole-4,9-dione;1H-Naphtho[2,3-d]-1,2,3-triazole-4,9-dione, 1-phenyl-;NSC 26339;DTXSID60203116;KXGSYSDSQRXROA-UHFFFAOYSA-N;BDBM50556044;NSC-26339;AKOS024289947;HY-146673;CS-0438300;1-phenyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione;1-Phenyl-1H,4H,9H-naphtho[2,3-d][1,2,3]triazole-4,9-dione

Chemical Property of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-

Chemical Property:

• Vapor Pressure: 4.75E-11mmHg at 25°C
• Boiling Point: 523.4°Cat760mmHg
• Flash Point: 270.3°C
• Density: 1.44g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 275.069476538
• Heavy Atom Count: 21
• Complexity: 447

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C3=C(C(=O)C4=CC=CC=C4C3=O)N=N2

Technology Process of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-

There total 12 articles about 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-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: 51.0%

2-hydroxynaphtho-1,4-quinone (83-72-7) + Phenyl azide (622-37-7) → 1-phenyl-1H-naphtho[2,3-d][1,2,3]triazole-4.9-dione (5466-47-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 ℃; for 5h;

Reference yield: 27.0%

Phenyl azide (622-37-7) + [1,4]naphthoquinone (130-15-4) → 1-phenyl-1H-naphtho[2,3-d][1,2,3]triazole-4.9-dione (5466-47-7)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; Solvent; Temperature;

DOI:10.1016/j.tetlet.2014.01.129

Reference yield:

Phenyl azide (622-37-7) + [1,4]naphthoquinone (130-15-4) → 2-anilinomethylideneindane-1,3-dione (38337-19-8) + 1-phenyl-1H-naphtho[2,3-d][1,2,3]triazole-4.9-dione (5466-47-7)

Guidance literature:

In water; at 60 ℃; Solvent; Temperature; Green chemistry;

DOI:10.1016/j.tetlet.2014.01.129

upstream raw materials:

2-amino-3-(phenylamino)-1,4-naphthoquinone

2-amino-3-(N-nitroso-anilino)-[1,4]naphthoquinone

Phenyl azide

[1,4]naphthoquinone

Downstream raw materials:

2-[(1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]benzoic acid

4,9-dioxo-3-methyl-1-phenylnaphtho[2,3-d][1,2,3]triazol-3-ium chloride

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