137577-00-5

Basic information

• Product Name: 2-BROMO-1-(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-1-ETHANONE
• Synonyms: 2-BROMO-1-(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-1-ETHANONE;4-(Bromoacetyl)-5-methyl-1-phenyl-1H-pyrazole;2-Bromo-1-(5-methyl-1-phenyl-1h-pyrazol-4-yl)-1-ethanone, 95+%;2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-;2-BroMo-1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone
• CAS NO: 137577-00-5
• Molecular Formula: C₁₂H₁₁BrN₂O
• Molecular Weight: 279.13
• Mol File: 137577-00-5.mol

Chemical Properties

• Melting Point: 94-96°C
• Boiling Point: 373.1 °C at 760 mmHg
• Flash Point: 179.5 °C
• Appearance: /
• Density: 1.44 g/cm³
• Vapor Pressure: 9.16E-06mmHg at 25°C
• Refractive Index: 1.621
• PKA: -2.33±0.10(Predicted)
• CAS DataBase Reference: 2-BROMO-1-(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-1-ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-1-(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-1-ETHANONE(137577-00-5)
• EPA Substance Registry System: 2-BROMO-1-(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-1-ETHANONE(137577-00-5)

Safety Data

• Hazard Codes: C,Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 137577-00-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone is used as a potential precursor for the synthesis of pharmaceutical compounds due to its bio-active structure and the presence of functional groups that can be utilized in drug development. Its unique chemical properties may allow for the creation of new medications or the enhancement of existing ones.
Used in Chemical Research:
2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone is used as a research compound in the field of organic chemistry, particularly for studying the properties and reactions of pyrazole derivatives and other related structures. Its specific isomeric structure may provide insights into the behavior of similar compounds and contribute to the advancement of chemical knowledge.
Used in Material Science:
2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone may be used as a component in the development of new materials, such as polymers or other advanced materials, that could benefit from its unique chemical properties. Its potential applications in this field would depend on further research and development to understand its interactions with other materials and its performance in various applications.

InChI:InChI=1/C12H11BrN2O/c1-9-11(12(16)7-13)8-14-15(9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3

Upstream product

• 6123-63-3 4-acetyl-5-methyl-1-phenylpyrazole 
• 123-54-6 acetylacetone 
• 18856-72-9 3-dimethylaminomethylenepentane-2,4-dione 

Downstream Products

• 865798-56-7 4-methyl-3-[2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2-oxo-ethylamino]-benzoic acid methyl ester 
• 1313014-24-2 6-Chloro-2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-8-morpholin-4-yl-imidazo[1,2-b] pyridazine 

Relevant articles and documents

Synthesis and anti-hypertensive ?-blocking activity evaluation of thiazole derivatives bearing pyrazole moiety

A novel, facile reaction for the synthesis of series of thiazole derivatives has been developed from the reaction of the appropriate thiosemicarbazone derivatives and 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone in ethanol under reflux. The struc

2-Bromo-1-(1H-pyrazol-4-yl)ethanone: Versatile Precursor for Novel Mono- and Bis[pyrazolylthiazoles]

The synthesis of novel bis(thiazoles) 20a, 20b, 20c and 23a, 23b, 23c is reported. Thus, reaction of 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone (6) with the corresponding thioamide derivatives 7a,7b, in refluxing EtOH in the presence of triethylamine, afforded 4-pyrazolylthiazoles 8a, 8b in good yields. On the other hand, the novel bis(thiazoles) 20a, 20b, 20c and 23a, 23b, 23c were obtained from the reaction of 6 with the corresponding benzaldehyde thiosemicarbazones 19a, 19b, 19c, 22a, 22b, 22c in refluxing EtOH. Compounds 19a, 19b, 19c and 22a, 22b, 22c were obtained by condensation of the corresponding bis(aldehydes) 18a, 18b, 18c and 21a, 21b, 21c with thiosemicarbazide.

2-Bromo-1-(1H-pyrazol-4-yl)ethanone: Versatile precursors for novel mono-, bis- and poly{6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines}

A simple synthesis of novel mono-, bis- and poly{6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines} is reported. The formation of the target compounds was achieved by the reaction of 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone with the appropriate aminotriazolethiol or by the reaction of 6-pyrazolyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-3-thiol with the appropriate di- and poly(bromo) compounds. The structures of the newly synthesized compounds were established by spectroscopy and elemental analyses.

Synthesis and biological evaluations of new nitric oxide-anti-inflammatory drug hybrids

Three novel series of nitroso derivatives (11–15), isoxazolopyrazoles (17a–c) and isoxazolo[3,4-d]pyridazines (18a–c) were prepared from the hydroxyimoyl chloride 10. In vitro COX1?2 inhibition activities were evaluated, both of 17b and 18a proved a promi

General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes

A novel and efficient photochemical transformation of diarylethenes comprising a five-membered heterocyclic ring and phenyl moiety is described. This reaction provides a simple method for the preparation of functionalized naphthalene derivatives via photorearrangement reaction of diarylethenes, and the process is characterized by high efficiency that was determined by NMR monitoring. Some mechanistic aspects of this process have been also explored. It was found that the reaction includes tandem transformation of three basic processes: the photocyclization of the hexatriene system, [1,9]-sigmatropic rearrangement, and heterocyclic ring opening. Diarylethenes with different heterocycle moieties (thiophene, benzo[b]thiophene, furan, indole, imidazole, thiazole, oxazole, pyrazole) have been involved into this process, and the target naphthalenes with good yields have been obtained. The opportunity for use in the transformation of diarylethenes with different heterocyclic residues permits synthesis of naphthalenes with desired functional groups. The general character and high efficiency of the reaction promise that the transformation can be an effective synthetic route for the annulation of benzene rings to various aromatic systems, including heterocycles.