51560-55-5

Basic information

• Product Name: 1-(4-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
• Synonyms: 1-(4-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
• CAS NO: 51560-55-5
• Molecular Formula: C₁₁H₁₁ClN₂
• Molecular Weight: 206.68
• Mol File: 51560-55-5.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(4-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE(51560-55-5)
• EPA Substance Registry System: 1-(4-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE(51560-55-5)

Safety Data

• Hazardous Substances Data: 51560-55-5(Hazardous Substances Data)

Upstream product

• 67-51-6 3,5-dimethyl-1H-pyrazole 
• 1073-70-7 4-chlorophenylhydrazine hydrochloride 
• 123-54-6 acetylacetone 
• 1073-69-4 N-4-chlorophenylhydrazine 
• 106-46-7 para-dichlorobenzene 
• 1679-18-1 4-Chlorophenylboronic acid 

Downstream Products

• 54605-74-2 1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde 
• 113808-87-0 1-(4-chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid 
• 1410806-26-6 1-[1-(4-Chloro-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-piperidin-1-yl-ethanone 
• 1267044-13-2 chloro-1-[1-(4-chloro-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-ethanone 
• 95430-69-6 1,1-bis(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methane 

Relevant articles and documents

The association of like-charged ions in tunable protic pyrazolium salts

The association of like-charged ions is an elusive concept due to the lack of supporting experimental evidence. In the present work, 3,5-dimethyl-1-(p-substitutedphenyl)pyrazolium hexafluorophosphate (p-Cl (2a), p-Br (2b), p-OCH3 (2c)) tunable

Oxone-DMSO Triggered Methylene Insertion and C(sp2)-C(sp3)-H-C(sp2) Bond Formation to Access Functional Bis-Heterocycles

Metal-free insertion of a methylene group was achieved for the construction of a new C(sp2)-C(sp3)-H-C(sp2) bond in order to prepare novel bis-heterocyclic scaffolds. The complete mechanistic investigations included experimental study and DFT calculations, and various symmetric and unsymmetric bis-pyrazoles as well as other pyrazole-based bis-heterocyclic molecules were prepared in moderate to high yields. Further modification of the bridged methylene group in the unsymmetric pyrazoles generated a chiral center to extend the scope of this method.

1-Aryl-3,5-dimethylpyrazolium based tunable protic ionic liquids (TPILs)

A series of new 1-aryl-3,5-dimethylpyrazolium based tunable protic ionic liquids/salts ([PhRHpz][X], R: –H, –Cl, –Br, –CH3, –OCH3, X: chloride [Cl?] and tetrafluoroborate [BF4 ?]) have been synthesized through acid-base neutralization reactions between 1-aryl-3,5-dimethyl-1H-pyrazoles and the corresponding inorganic acids. The chemical structure of the salts was confirmed by FTIR, 1H NMR, 13C NMR, elemental analysis, and 19F NMR (3a-3e) and the crystal structure of the two salts (2a and 3d) was also elucidated by X-ray analysis of single crystals. Melting points and thermal decomposition temperatures of TPILs (2e and 3b) were determined. The geometries of the cations, anions and ionic salts were optimized, and their molecular electrostatic potentials (MEPs) were assessed by using density functional theory methods (B3LYP and M06-2X). The electrochemical window of the salts was determined both experimentally and theoretically. The correlation coefficient values were also calculated by using theoretical and experimental EW values of the salts.