2-(p-Tolyl)phthalazin-1(2H)-one

Base Information

• Chemical Name: 2-(p-Tolyl)phthalazin-1(2H)-one
• CAS No.: 51334-85-1
• Molecular Formula: C15H12N2O
• Molecular Weight: 236.273
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90584142
• Nikkaji Number: J3.108.784H
• Wikidata: Q82475777
• Mol file: 51334-85-1.mol

Synonyms:2-(p-Tolyl)phthalazin-1(2H)-one;919868-22-7;2-(4-METHYLPHENYL)PHTHALAZIN-1-ONE;2-(4-Methylphenyl)phthalazin-1(2H)-one;2-(4-methylphenyl)-1,2-dihydrophthalazin-1-one;DTXSID90584142;AKOS022185213;CS-0349041;(4-Methylphenyl)-1-(2H)-phthalazinone, 95%;N16811;Z48957579;Benzeneacetic acid, .alpha.-bromo-4-chloro-, ethyl ester

Chemical Property of 2-(p-Tolyl)phthalazin-1(2H)-one

Chemical Property:

• Melting Point: 250-255 °C(lit.)
• PSA: 45.75000
• LogP: 2.89850
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.094963011
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

97% ^*data from raw suppliers

(4-Methylphenyl)-1-(2H)-phthalazinone 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C=N2

Technology Process of 2-(p-Tolyl)phthalazin-1(2H)-one

There total 15 articles about 2-(p-Tolyl)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: 93.0%

2-(4-toluoyl)benzoic acid (85-55-2) → 4-(4-methylphenyl)-1-(2H)-phthalazinone (51334-85-1)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Reflux;

DOI:10.1002/jhet.2316

Reference yield: 88.0%

2-(Dimethylamino)-3-hydroxy-3-(4-methylphenyl)-2,3-dihydroisoindol-1-one → 4-(4-methylphenyl)-1-(2H)-phthalazinone (51334-85-1)

Guidance literature:

With hydrazine hydrate; at 100 ℃; for 2h;

DOI:10.1055/s-2001-10804

Reference yield: 74.0%

N-aminophthalamide (1875-48-5) + toluene (108-88-3,15644-74-3,16713-13-6) → 4-(4-methylphenyl)-1-(2H)-phthalazinone (51334-85-1)

Guidance literature:

With aluminium trichloride; 1.) room temp., 1 h, 2.) boiling water bath 4 h and room temp. overnight;

DOI:10.1016/S0040-4020(01)91312-2

upstream raw materials:

2-(4-toluoyl)benzoic acid

N-aminophthalamide

toluene

N-naphthalen-1-ylmethyleneamino-phthalimide