881-05-0

Basic information

• Product Name: 1H-Pyrazole-4,5-dione,3-Methyl-1-phenyl-
• Synonyms: 1H-Pyrazole-4,5-dione,3-Methyl-1-phenyl-
• CAS NO: 881-05-0
• Molecular Formula: C₁₀H₈N₂O₂
• Molecular Weight: 188.18272
• Mol File: 881-05-0.mol
• Article Data: 16

Chemical Properties

• Melting Point: 118-120 °C
• Boiling Point: 289.9±23.0 °C(Predicted)
• Appearance: /
• Density: 1.29±0.1 g/cm3(Predicted)
• PKA: -0.11±0.40(Predicted)
• CAS DataBase Reference: 1H-Pyrazole-4,5-dione,3-Methyl-1-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-4,5-dione,3-Methyl-1-phenyl-(881-05-0)
• EPA Substance Registry System: 1H-Pyrazole-4,5-dione,3-Methyl-1-phenyl-(881-05-0)

Safety Data

• Hazardous Substances Data: 881-05-0(Hazardous Substances Data)

Usage

Description

1H-Pyrazole-4,5-dione,3-Methyl-1-phenylis a chemical compound with the formula C10H8N2O2. It is a derivative of pyrazole, featuring a methyl group and a phenyl group attached to the pyrazole ring. 1H-Pyrazole-4,5-dione,3-Methyl-1-phenylis widely utilized in organic synthesis and medicinal chemistry as a key intermediate for the preparation of various pharmaceuticals and agrochemicals. Additionally, it has been studied for its potential biological activities, such as anti-inflammatory and analgesic properties, and has been investigated for its use in photochromic materials and as a building block for the synthesis of new functional materials.

Uses

Used in Pharmaceutical and Agrochemical Industries:
1H-Pyrazole-4,5-dione,3-Methyl-1-phenylis used as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals for its versatile chemical structure and potential to be modified for specific therapeutic or pesticidal effects.
Used in Organic Synthesis:
As a versatile building block, 1H-Pyrazole-4,5-dione,3-Methyl-1-phenylis used in organic synthesis to create a range of chemical compounds with diverse applications, leveraging its reactive functional groups and structural features.
Used in Medicinal Chemistry:
1H-Pyrazole-4,5-dione,3-Methyl-1-phenylis utilized in medicinal chemistry for the development of new drugs, taking advantage of its potential biological activities, such as anti-inflammatory and analgesic properties, to treat various medical conditions.
Used in Photochromic Materials:
1H-Pyrazole-4,5-dione,3-Methyl-1-phenylhas been investigated for its potential use in photochromic materials, where its properties may allow it to change color upon exposure to light, offering applications in smart materials and devices.
Used in the Synthesis of New Functional Materials:
1H-Pyrazole-4,5-dione,3-Methyl-1-phenylserves as a building block for the synthesis of new functional materials, where its unique structure and properties can be harnessed to create materials with specific functions in various industries, such as electronics, sensors, or energy storage.

Upstream product

• 99694-71-0 4-aminoantipyrine 
• 117985-07-6 4-Diethylamino-phenylimino-3-methyl-1-phenyl-2-pyrazolin-5-on 
• 1456-89-9 1-Phenyl-3-methyl-4-(4-dimethylaminophenylimino)-pyrazolin-5-on 
• 60-80-0 antipyrine 
• 62947-11-9 4,4-Dibromo-3-methyl-1-phenyl-2-pyrazolin-5-one 
• 83-07-8 4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one 
• 479-92-5 propyphenazone 
• 58-15-1 aminopyrine 
• 3615-24-5 ramifenazone 
• 2139-47-1 nifenazone 
• 6536-18-1 Morazone 
• 68-89-3 metamizol 
• 117985-05-4 (E)-5-methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one 
• 1242853-39-9 3-methyl-1-phenyl-4-(phenyldiazenyl)-1H-pyrazol-5-ol 

Downstream Products

• 909-59-1 4-<3-methyl-1-phenyl-5-oxo-2-pyrazoline-4-ylideneamino>-3-methyl-1-phenyl-2-pyrazoline-5-one 
• 1055-31-8 1,5,5'-trimethyl-2,2'-diphenyl-1,2,2',4'-tetrahydro-4,4'-azanylylidene-bis-pyrazol-3-one 
• 36013-41-9 5-methyl-2-phenyl-2H-pyrazole-3,4-dione 4-(methyl-phenyl-hydrazone) 
• 292620-42-9 4-(2-aminophenylimino)-5-methyl-2-phenyl-3,4-dihydro-2H-pyrazol-3-one 
• 19374-75-5 3-methyl-1-phenylpyrazole-4,5-dione 4-phenylhydrazone 
• 1080-89-3 4-hydroxyimino-3-methyl-1-phenyl-2-pyrazolin-5-one 
• 27161-75-7 morpholine-4-carbothioic acid (3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-hydrazide 
• 32273-66-8 9-methyl-7-phenyl-1,4-dioxa-7,8-diaza-spiro[4.4]non-8-en-6-one 
• 62094-95-5 rubazonic acid 
• 75380-47-1 2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3,4-dione 4-bis(quinoxaline-2,3-diylhydrazone) 
• 94724-62-6 3-methyl-1-phenyl-5-oxopyrazolo-4-yl-methylidene-2-(quinolium-1-ethiodide)cyanine 
• 94724-63-7 3-Ethyl-2-[3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4Z)-ylidenemethyl]-benzooxazol-3-ium; iodide 

Relevant articles and documents

Catalytic Asymmetric Addition of Diorganozinc Reagents to Pyrazole-4,5-Diones and Indoline-2,3-Diones

The catalytic enantioselective diorganozinc additions to cyclic diketones including pyrazolin-4,5-diones and isatins have been developed. In the presence of morpholine-containing chiral amino alcohol ligand, the corresponding chiral cyclic tertiary alcohols were produced in good to excellent yields (up to 97 %) and enantioselectivities (up to 95 % ee). The notable feature of this protocol includes its mild reaction conditions, Lewis acid additives free and broad functional group tolerance.

Iodine-Catalyzed Construction of Dihydrooxepines via 3-Methyl-5-Pyrazolones C?H Oxidation/Functionalization of Quinolines Cascade

An efficient iodine-catalyzed [3+3+1] annulation for the construction of dihydrooxepine scaffolds with quinoline units was developed. This strategy involves a seven-membered dihydrooxepine with a broad substrate scope through a formal three-component tandem reaction. Further derivation of the target product produced a trioxabicycle scaffold, which formed the basic core of natural products and pharmaceutical molecules.

Asymmetric Organocatalytic Friedel-Crafts Hydroxyalkylation of Indoles Using Electrophilic Pyrazole-4,5-diones

The electrophilic reactivity of a series of novel pyrazole-4,5-dione derivatives in the organocatalytic Friedel-Crafts reaction with various substituted indoles has been tested. The disclosed procedure catalyzed by a cinchona alkaloid derivative allows the conjugation of two very important aza-heterocyclic scaffolds to generate a new class of indolylpyrazolones bearing a tetrasubstituted stereocenter in excellent yields (up to 99%) and with enantioselectivities of up to 94:6 er.