5004-48-8

Basic information

• Product Name: 4-METHYLPHTHALAZIN-1(2H)-ONE
• Synonyms: 4-METHYLPHTHALAZIN-1(2H)-ONE;4-METHYL-2H-PHTHALAZIN-1-ONE;AURORA KA-5078;1-Methylphthalazine-4(3H)-one;ICX-56274004;4-methyl-1(2H)-phthalazinone(SALTDATA: FREE);4-Methyl-1-phthalazinol;4-Methyl-1-phthalazinone
• CAS NO: 5004-48-8
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.17
• Product Categories: Miscellaneous Reagents
• Mol File: 5004-48-8.mol

Chemical Properties

• Melting Point: 223-224°C
• Appearance: Colourless Cyrstalline Solid
• Density: 1.27 g/cm³
• Refractive Index: 1.644
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.32±0.40(Predicted)
• CAS DataBase Reference: 4-METHYLPHTHALAZIN-1(2H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLPHTHALAZIN-1(2H)-ONE(5004-48-8)
• EPA Substance Registry System: 4-METHYLPHTHALAZIN-1(2H)-ONE(5004-48-8)

Safety Data

• Hazardous Substances Data: 5004-48-8(Hazardous Substances Data)

Usage

Uses

Hydroxy-4-methylphthalazine (cas# 5004-48-8) is a compound useful in organic synthesis.

InChI:InChI=1/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12)

Upstream product

• 33930-79-9 2-methyl-4-nitroisoquinolin-1(2H)-one 
• 84257-71-6 1-(ethoxycarbonylmethylthio)-4-methylphthalazine 

Downstream Products

• 54145-23-2 4-methyl-1(2H)-phthalazinethione 
• 84257-65-8 4-methyl-2-(p-methylbenzyl)-1-phthalazinone 
• 84257-68-1 4-methyl-2-(p-toluenesulfonyl)-1-phthalazinone 
• 19064-68-7 1-chloro-4-methylphthalazine 
• 763114-26-7 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid 
• 763113-22-0 olaparib 
• 52952-31-5 tetrabenzoporphyrin 
• 84257-74-9 3-(p-nitrophenyl)-6-methyl-s-triazolo<3,4-a>phthalazine 
• 84257-73-8 N-(4-methylphthalazin-1-yl)-p-nitrobenzaldehyde hydrazone 
• 84257-70-5 1-(p-nitrobenzylthio)-4-methylphthalazine 
• 84257-76-1 3-(4'methoxyphenyl)-6-methyl-1,2,4-triazolo<3,4-a>phthalazine 
• 84257-78-3 3-(o-hydroxyphenyl)-6-methyl-s-triazolo<3,4-a>phthalazine 

Relevant articles and documents

Cyclotransformation in the series of fused 5-nitropyridin-2(1H)-ones

Reactions with excess hydrazine hydrate of 5-nitropyridin-2(1H)-ones fused with benzene, pyridine, and 1,2,3-triazole rings led to a cyclotransformation of the 5-nitro-2-oxopyridine fragment into the 6-methyl-3-oxopyridazine structure. This cyclotransformation is of general character; a probable mechanism of the process is suggested. Details of the assumed mechanism were experimentally confirmed on model compounds.

Substitution and Ring Closure Reactions of Phthalazine Derivatives

1-(Phenylthio)- and 1-(hydroxycarbonylmethylthio)-4-methylphthalazines were prepared from 1-chloro-4-methylphthalazines (1).A series of 2-benzyl- and benzenesulfonyl derivatives was prepared from the corresponding halides and 4-methyl-1(2H)-phthalazinone (4). 4-Methyl-1(2H)-phthalazinthione (6) was substituted at SH group to give 1-(benzylthio)- and 1-(ethoxycarbonylmethylthio)-4-methylphthalazines, 7 and 8 respectively.Treatment of hydrazine hydrate with 8 produced 1-hydrazino-4-methylphthalazine (10).However, when the latter compound was treated with 1 it gave 1,2-bis-(4-methylphthalazinyl)hydrazine.Treatment of 10 with aromatic aldehydes in glacial acetic acid gave the corresponding 3-phenyl-s-triazolo-6-methylphthalazines 13. 1-Hydrazino-4-methylphthalazine (10) underwent cyclization reactions with acetic anhydride, ethyl chloroformate, carbon disulphide, ethyl formate, ethyl oxalate and with nitrous acid to give the corresponding triazolo-, triazino- and tetrazolophthalazine compounds.