4-methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one

Base Information

• Chemical Name: 4-methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one
• CAS No.: 100864-77-5
• Molecular Formula: C₁₅H₁₁N₃O₃
• Molecular Weight: 281.271
• DSSTox Substance ID: DTXSID101319893
• ChEMBL ID: CHEMBL1442078

Synonyms:4-methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one;100864-77-5;4-methyl-2-(4-nitrophenyl)phthalazin-1-one;4-methyl-2-(4-nitrophenyl)-1(2H)-phthalazinone;4-Methyl-2-(4-nitro-phenyl)-2H-phthalazin-1-one;Cambridge id 5243863;Oprea1_029310;Oprea1_678561;MLS001207342;CHEMBL1442078;DTXSID101319893;HMS2840H06;MFCD00577823;STL168516;AKOS000520604;LS-07879;SMR000514974;2-{4-nitrophenyl}-4-methyl-1(2H)-phthalazinone;4-methyl-2-(4-nitrophenyl)-2H-phthalazin-1-one;A910936;AK-968/37055139;SR-01000404001;SR-01000404001-1;4-methyl-2-(4-nitrophenyl)-1,2-dihydrophthalazin-1-one

Chemical Property of 4-methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 281.08004122
• Heavy Atom Count: 21
• Complexity: 463

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 4-methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one

There total 8 articles about 4-methyl-2-(4-nitrophenyl)phthalazin-1(2H)-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:

→ 4-methyl-2-(4-nitro-phenyl)-2H-phthalazin-1-one (100864-77-5)

Guidance literature:

With hydrogenchloride; at 180 ℃;

DOI:10.1021/ja01149a112

Reference yield:

2-[1-(4-nitro-phenylhydrazono)-ethyl]-benzoic acid (85558-51-6) → 4-methyl-2-(4-nitro-phenyl)-2H-phthalazin-1-one (100864-77-5)

Guidance literature:

at 190 - 200 ℃;

Reference yield:

4-methyl-2-phenylphthalazin-1(2H)-one (6941-96-4) → 4-methyl-2-(4-nitro-phenyl)-2H-phthalazin-1-one (100864-77-5)

Guidance literature:

With nitric acid;

DOI:10.1039/jr9310001918

upstream raw materials:

4-methyl-2-phenylphthalazin-1(2H)-one

2-[1-(4-nitro-phenylhydrazono)-ethyl]-benzoic acid

2-acetyl-benzoic acid

ethanol

Downstream raw materials:

2-(4-amino-phenyl)-4-methyl-2H-phthalazin-1-one

4-methyl-2-phenylphthalazin-1(2H)-one

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