1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazine

Base Information

• Chemical Name: 1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazine
• CAS No.: 19818-44-1
• Molecular Formula: C19H15N3
• Molecular Weight: 285.34300
• Hs Code.: 2933699090
• DSSTox Substance ID: DTXSID10482752
• Nikkaji Number: J82.900E
• Mol file: 19818-44-1.mol

Synonyms:19818-44-1;1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazine;1,3-DIPHENYL-2H-1,2,4-BENZOTRIAZINE;SCHEMBL15258186;DTXSID10482752;1,3-diphenyl-1,4-dihydro-1,2,4-benzotriazine;1,3-diphenyl-1,4-dihydro-[1,2,4]benzotriazine

Chemical Property of 1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazine

Chemical Property:

• PSA: 33.61000
• LogP: 4.58280
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 285.126597491
• Heavy Atom Count: 22
• Complexity: 394

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)C2=NC3=CC=CC=C3N(N2)C4=CC=CC=C4

Technology Process of 1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazine

There total 8 articles about 1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazine 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%

1,3-diphenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl (19986-84-6) → 1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazin (19818-44-1)

Guidance literature:

With phenylhydrazine; In methanol;

Reference yield:

N,N'-diphenylbenzenecarbohydrazonamide (13136-18-0) → 1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazin (19818-44-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HgO / ethanol / 0.5 h / 40 °C

2: dimethylsulfoxide / 140 °C

With mercury(II) oxide; In ethanol; dimethyl sulfoxide;

Reference yield:

N′-(2-nitrophenyl)-N′-phenylbenzohydrazide (51589-42-5) → 1,4-Dihydro-1,3-diphenyl-1,2,4-benzotriazin (19818-44-1)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / ethylene glycol / 4 h / 20 °C / 2250.23 Torr

2: 0.17 h / 118 °C

With palladium 10% on activated carbon; hydrogen; In ethylene glycol;

DOI:10.1021/jo402481t

upstream raw materials:

1,3-diphenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl

C₁₉H₁₅N₃

N,N'-diphenylbenzenecarbohydrazonamide

N′-(2-nitrophenyl)-N′-phenylbenzohydrazide

Downstream raw materials:

1,3-diphenylbenzo[e]-[1,2,4]triazin-7(1H)-one

4-Methyl-1,4-dihydro-1,3-diphenyl-1,2,4-benzotriazin

2-Benzyl-1,2-dihydro-1,3-diphenyl-1,2,4-benzotriazin

4-benzyl-1,3-diphenyl-1,4-dihydrobenzo[e][1,2,4]triazine