13788-84-6

Basic information

• Product Name: 3-METHYL-4-PHENYLPYRAZOLE
• Synonyms: 3-METHYL-4-PHENYLPYRAZOLE;3-METHYL-4-PHENYL-1H-PYRAZOLE;3-Methyl-4-phenyl pyrazole, GC 98%;3-METHYL-4-PHENYLPYRAZOLE 98%;5-methyl-4-phenyl-1H-pyrazole;3-methyl-4-phenyl-1H-pyrazole(SALTDATA: FREE);(3-Methyl-1H-pyrazol-4-yl)benzene
• CAS NO: 13788-84-6
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.2
• Product Categories: Heterocyclic Compounds;Heterocycles
• Mol File: 13788-84-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: 142-144°C
• Boiling Point: 321.2°Cat760mmHg
• Flash Point: 148.4°C
• Appearance: /
• Density: 1.109g/cm³
• Vapor Pressure: 0.000568mmHg at 25°C
• Refractive Index: 1.591
• Storage Temp.: -20?C Freezer
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 14.50±0.50(Predicted)
• Water Solubility: Soluble in DMSO, Methanol. Insoluble in water.
• BRN: 3330
• CAS DataBase Reference: 3-METHYL-4-PHENYLPYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-4-PHENYLPYRAZOLE(13788-84-6)
• EPA Substance Registry System: 3-METHYL-4-PHENYLPYRAZOLE(13788-84-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 13788-84-6(Hazardous Substances Data)

Usage

Chemical Properties

Pale Yellow Solid

Uses

3-Methyl-4-phenylpyrazole (cas# 13788-84-6) is a compound useful in organic synthesis.

Synthesis Reference(s)

Tetrahedron Letters, 29, p. 6001, 1988 DOI: 10.1016/S0040-4039(00)82251-0

InChI:InChI=1/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

Upstream product

• 13808-64-5 4-bromo-3-methyl-1H-pyrazole 
• 98-80-6 phenylboronic acid 
• 22293-10-3 (1-diazoethyl)benzene 
• 75-20-7 calcium carbide 
• 98-86-2 acetophenone 
• 1576-35-8 toluene-4-sulfonic acid hydrazide 
• 4545-21-5 acetophenone p-toluenesulfonylhydrazone 
• 705-60-2 1-phenyl-2-nitroprop-1-ene 
• 103-79-7 1-phenyl-acetone 
• 831-84-5 1-phenyl-propan-2-one semicarbazone 
• 68-12-2 N,N-dimethyl-formamide 
• 110-91-8 morpholine 
• 79815-54-6 anhydro-2,6-diphenyl-1-hydroxy-5-methyl-3-oxopyrazolo<1,2-a>pyrazolium hydroxide 
• 114554-24-4 4-(2-aminophenyl)-3-methylpyrazole 

Downstream Products

• 616878-53-6 2-(4-(3-methyl-4-phenyl-1H-pyrazol-1-yl)phenyl)ethyl(4-methylphenyl) sulfonylcarbamate 
• 1706-46-3 1,5-dimethyl-4-phenylpyrazole 
• 1706-38-3 1,3-dimethyl-4-phenylpyrazole 
• 7510-56-7 4-phenyl-1H-pyrazole-3-carboxylic acid 
• 1402636-23-0 ethyl (2R)-2-methyl-4-(3-methyl-4-phenyl-1H-pyrazol-1-yl)-2-(methylsulfonyl)butanoate 
• 1332624-72-2 1-methyl-2-(3-methyl-4-phenyl-1H-pyrazol-1-yl)-1H-benzo-[d]imidazole 

Relevant articles and documents

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Novel inhibitors of nicotinamide-n-methyltransferase for the treatment of metabolic disorders

Nicotinamide-N-methyltransferase (NNMT) is a cytosolic enzyme catalyzing the transfer of a methyl group from S-adenosyl-methionine (SAM) to nicotinamide (Nam). It is expressed in many tissues including the liver, adipose tissue, and skeletal muscle. Its expression in several cancer cell lines has been widely discussed in the literature, and recent work established a link between NNMT expression and metabolic diseases. Here we describe our approach to identify potent small molecule inhibitors of NNMT featuring different binding modes as elucidated by X-ray crystallographic studies.

Vilsmeier formylation of hydrazones and semicarbazones derived from alkyl, benzyl, and cycloalkyl methyl ketones

Formylation of ten accessible phenylhydrazones and semicarbazones derived from alkyl, benzyl, and cycloalkyl methyl ketones with the complex of POCl 3 with dimethylformamide was studied. Depending on the electronic and steric structure of the substrates, the reaction yields 1-phenyl- or 1-unsubstituted 3,4-dialkyl-, 3-alkyl-4-aryl-, or 3-alkyl-4-formylpyrazoles. These compounds can be readily oxidized into the corresponding carboxylic acids. 2005 Pleiades Publishing, Inc.