Phthalazine, 1,2-dihydro-2-phenyl-

Base Information

• Chemical Name: Phthalazine, 1,2-dihydro-2-phenyl-
• CAS No.: 128174-77-6
• Molecular Formula: C14H12N2
• Molecular Weight: 208.263
• DSSTox Substance ID: DTXSID90469809
• Nikkaji Number: J2.211.187F
• Wikidata: Q82297684
• Mol file: 128174-77-6.mol

Synonyms:Phthalazine, 1,2-dihydro-2-phenyl-;128174-77-6;2-phenylphthalazine;DTXSID90469809

Chemical Property of Phthalazine, 1,2-dihydro-2-phenyl-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C=NN1C3=CC=CC=C3

Technology Process of Phthalazine, 1,2-dihydro-2-phenyl-

There total 9 articles about Phthalazine, 1,2-dihydro-2-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: 87.0%

2-(bromomethyl)benzaldehyde (60633-91-2) + phenylhydrazine (100-63-0) → 2-phenyl-1,2-dihydrophthalazine (128174-77-6)

Guidance literature:

With iron(III) chloride; potassium carbonate; In acetonitrile; at 100 ℃; for 24h; Reagent/catalyst; Concentration; Temperature; Solvent; Inert atmosphere;

DOI:10.1021/jo302491x

Reference yield: 28.0%

N-phenyl-maleimide (941-69-5) + 1-hydroxy-2-phenyl-1,2-dihydrophthalazine (101005-04-3) → 2-phenylphthalazin-1-one (6266-49-5) + 2-phenyl-1,2-dihydrophthalazine (128174-77-6) + N-phenylmaleimidylphthalazinylidenes (128174-81-2) + 2,2-diphenyl-trans-1,1'-bi(1,2-dihydrophthalazinylidene) (113386-53-1)

Guidance literature:

In acetic acid; acetonitrile; for 2h; Heating;

Reference yield: 14.5%

1-hydroxy-2-phenyl-1,2-dihydrophthalazine (101005-04-3) + dimethyl acetylenedicarboxylate (762-42-5) → 2-phenyl-1,2-dihydrophthalazine (128174-77-6) + dimethyl 3-(2-phenyl-1,2-dihydrophthalazin-1-ylidene)-2-oxobutanedioate (128174-83-4) + dimethyl 2-acetoxy-3-(2-phenyl-1,2-dihydrophthalazin-1-yl)but-2-ene-1,4-dioate (128174-84-5) + 2,2-diphenyl-trans-1,1'-bi(1,2-dihydrophthalazinylidene) (113386-53-1)

Guidance literature:

In acetic acid; acetonitrile; for 2h; Heating;

upstream raw materials:

N-phenyl-maleimide

1-hydroxy-2-phenyl-1,2-dihydrophthalazine

dimethyl acetylenedicarboxylate

2-(Phenyl-hydrazonomethyl)-benzaldehyde

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