1,4-Diphenyl-5,8-dihydro-5,8-methanophthalazine

Base Information

• Chemical Name: 1,4-Diphenyl-5,8-dihydro-5,8-methanophthalazine
• CAS No.: 203982-88-1
• Molecular Formula: C21H16N2
• Molecular Weight: 296.371
• DSSTox Substance ID: DTXSID60571201
• Nikkaji Number: J1.197.367A
• Mol file: 203982-88-1.mol

Synonyms:1,4-Diphenyl-5,8-dihydro-5,8-methanophthalazine;203982-88-1;DTXSID60571201

Chemical Property of 1,4-Diphenyl-5,8-dihydro-5,8-methanophthalazine

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 296.131348519
• Heavy Atom Count: 23
• Complexity: 407

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C=CC1C3=C2C(=NN=C3C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 1,4-Diphenyl-5,8-dihydro-5,8-methanophthalazine

There total 3 articles about 1,4-Diphenyl-5,8-dihydro-5,8-methanophthalazine 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: 83.0%

2,3-dibenzoylbicyclo<2.2.1>hepta-2,5-diene (1096-50-0) → 1,4-diphenyl-5,8-dihydro-5,8-methanophthalazine (203982-88-1)

Guidance literature:

With hydrazine hydrate; In water; acetic acid; for 1.5h; Heating;

DOI:10.1246/bcsj.71.497

Reference yield:

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → 1,4-diphenyl-5,8-dihydro-5,8-methanophthalazine (203982-88-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: acetic acid; aqueous N₂H₄

With diethyl ether; hydrazine hydrate; acetic acid;

Reference yield:

2,3-dibenzoylbicyclo<2.2.1>hepta-2,5-diene (1096-50-0) + hydrazine hydrate (7803-57-8,79785-97-0) + acetic acid (64-19-7,77671-22-8) → 1,4-diphenyl-5,8-dihydro-5,8-methanophthalazine (203982-88-1)

Guidance literature:

upstream raw materials:

2,3-dibenzoylbicyclo<2.2.1>hepta-2,5-diene

hydrazine hydrate

acetic acid

cyclopenta-1,3-diene