41564-62-9

Basic information

• Product Name: 1-Penten-3-one, 1-(4-chlorophenyl)-4,4-dimethyl-, (E)-
• CAS NO: 41564-62-9
• Molecular Formula: C13H15ClO
• Molecular Weight: 222.715
• Mol File: 41564-62-9.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 1-Penten-3-one, 1-(4-chlorophenyl)-4,4-dimethyl-, (E)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Penten-3-one, 1-(4-chlorophenyl)-4,4-dimethyl-, (E)-(41564-62-9)
• EPA Substance Registry System: 1-Penten-3-one, 1-(4-chlorophenyl)-4,4-dimethyl-, (E)-(41564-62-9)

Safety Data

• Hazardous Substances Data: 41564-62-9(Hazardous Substances Data)

Upstream product

• 104-88-1 4-chlorobenzaldehyde 
• 134361-00-5 3,3-dimethyl-2-butanone lithium enolate 
• 30263-65-1 1,1-dibromo-3,3-dimethylbutan-2-one 
• 75-97-8 3,3-dimethyl-butan-2-one 

Downstream Products

• 84669-24-9 (E)-1-(4-Chloro-phenyl)-4,4-dimethyl-pent-1-en-3-one O-methyl-oxime 
• 84669-29-4 (E)-1-(4-Chloro-phenyl)-4,4-dimethyl-pent-1-en-3-one O-benzyl-oxime 
• 82518-05-6 2,6-Di-tert-butyl-3a,4-bis-(4-chloro-phenyl)-3a,4-dihydro-[1,2]thiaphospholo[2,3-b][1,2]thiaphosphinine 8-sulfide 
• 84669-20-5 1-Aminooxy-1-(4-chloro-phenyl)-4,4-dimethyl-pentan-3-one oxime 
• 1400633-44-4 4-(3-tert-butyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid 
• 1400633-26-2 3-(3-tert-butyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid 
• 1400633-39-7 4-(3-tert-butyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid 
• 1319727-35-9 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole-2-carbonitrile 
• 1319727-27-9 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-1H-pyrrole 
• 66346-01-8 1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one 
• 82518-16-9 6-t-butyl-3-cyano-4-(p-chlorophenyl)-3,4-dihydro-2H-thiopyran 

Relevant articles and documents

Discovery of trisubstituted pyrazolines as a novel scaffold for the development of selective phosphodiesterase 5 inhibitors

Celecoxib, is a selective cyclooxygenase-2 (COX2) inhibitor with a 1,5-diaryl pyrazole scaffold. Celecoxib has a better safety profile compared to other COX2 inhibitors having side effects of systemic hypertension and thromboembolic complications. This may be partly attributed to an off-target activity involving phosphodiesterase 5 (PDE5) inhibition and the potentiation of NO/cGMP signalling allowing coronary vasodilation and aortic relaxation. Inspired by the structure of celecoxib, we synthesized a chemically diverse series of compounds containing a 1,3,5-trisubstituted pyrazoline scaffold to improve PDE5 inhibitory potency, while eliminating COX2 inhibitory activity. SAR studies for PDE5 inhibition revealed an essential role for a carboxylic acid functionality at the 1-phenyl and the importance of the non-planar pyrazoline core over the planar pyrazole with the 5-phenyl moiety tolerating a range of substituents. These modifications led to new PDE5 inhibitors with approximately 20-fold improved potency to inhibit PDE5 and no COX-2 inhibitory activity compared with celecoxib. PDE isozyme profiling of compound 11 revealed a favorable selectivity profile. These results suggest that trisubstituted pyrazolines provide a promising scaffold for further chemical optimization to identify novel PDE5 inhibitors with potential for less side effects compared with available PDE5 inhibitors used for the treatment of penile erectile dysfunction and pulmonary hypertension.

Trisubstituted and tetrasubstituted pyrazolines as a novel class of cell-growth inhibitors in tumor cells with wild type p53

Derivatives with scaffolds of 1,3,5-tri-substituted pyrazoline and 1,3,4,5-tetra-substituted pyrazoline were synthesized and tested for their inhibitory effects versus the p53+/+ HCT116 and p53-/- H1299 human tumor cell lines. Severa

Process for the preparation of 1-(4-chlorophenyl)-4,4-dimethylpent-1-ene-3-one

The present invention relates to a method for the preparation of as 1-(4-Chlorophenyl)-4,4-dimethylpent-1-ene-3-one, also known as Phenyl aldol. The process of the present invention utilizes catalysts. The process enables the manufacture of the Phenyl ald