3-Phenyl-1,2,3-benzotriazin-4(3H)-one

Base Information

• Chemical Name: 3-Phenyl-1,2,3-benzotriazin-4(3H)-one
• CAS No.: 19263-30-0
• Molecular Formula: C13H9N3O
• Molecular Weight: 223.234
• Hs Code.: 2933699090
• NSC Number: 118293
• DSSTox Substance ID: DTXSID10940928
• Nikkaji Number: J104.537G
• Wikidata: Q82917690
• ChEMBL ID: CHEMBL1699366
• Mol file: 19263-30-0.mol

Synonyms:3-Phenyl-1,2,3-benzotriazin-4(3H)-one;19263-30-0;3-phenyl-1,2,3-benzotriazin-4-one;3-Phenylbenzo[d][1,2,3]triazin-4(3H)-one;MLS002706789;3-phenyl-3,4-dihydro-1,2,3-benzotriazin-4-one;NSC118293;1,2,3-Benzotriazin-4(3H)-one, 3-phenyl-;SCHEMBL7872101;CHEMBL1699366;DTXSID10940928;OSZDOFKUFXEPNC-UHFFFAOYSA-N;AKOS025137290;NSC-118293;3-Phenyl-1,3-benzotriazin-4(3H)-one;SMR001574188;1,3-Benzotriazin-4(3H)-one, 3-phenyl-;CS-0083029;D74469

Chemical Property of 3-Phenyl-1,2,3-benzotriazin-4(3H)-one

Chemical Property:

• Vapor Pressure: 8.28E-06mmHg at 25°C
• Boiling Point: 374.6°C at 760 mmHg
• Flash Point: 180.3°C
• PSA: 47.78000
• Density: 1.28g/cm³
• LogP: 1.78070
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.074561919
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=N2

Technology Process of 3-Phenyl-1,2,3-benzotriazin-4(3H)-one

There total 32 articles about 3-Phenyl-1,2,3-benzotriazin-4(3H)-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: 90.0%

1,2,3-benzotriazin-4(3H)-one (90-16-4) + phenylboronic acid (98-80-6) → 3-phenyl-1,2,3-benzotriazin-4(3H)-one (19263-30-0)

Guidance literature:

With copper diacetate; triethylamine; In 1,2-dichloro-ethane; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2011.11.096

Reference yield: 50.0%

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical (2564-83-2,45842-10-2,126517-51-9,25657-03-8,26933-82-4,54637-06-8,64104-42-3) + nitromethane (75-52-5) + 2-aminobenzanilide (4424-17-3) → 3-phenyl-4(3H)-quinazolinone (16347-60-7) + 2,2,6,6-tetramethyl-1-nitrosopiperidine (6130-93-4) + 3-phenyl-1,2,3-benzotriazin-4(3H)-one (19263-30-0)

Guidance literature:

With tert.-butylhydroperoxide; caesium carbonate; acetic acid; potassium iodide; In water; at 120 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201500619

Reference yield: 14.0%

1,2,3-benzotriazin-4(3H)-one (90-16-4) + iodobenzene (591-50-4) → 3-phenyl-1,2,3-benzotriazin-4(3H)-one (19263-30-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 150 ℃; for 6h;

DOI:10.1248/cpb.45.719

upstream raw materials:

2-(3-phenyl-triazenyl)-benzoic acid ethyl ester

C₂₀H₁₇N₃O₃

C₁₆H₁₇N₃O₂

C₁₆H₁₅N₃O₂

Downstream raw materials:

Methyl N-phenylanthranilate

ethyl 2-(phenylamino)benzoate

N-Phenyl-anthranilsaeure-isopropylester

N-Phenyl-anthranilsaeure-β-naphthylester