114978-05-1

Basic information

• Product Name: (R)-2-(4-isobutylphenyl)propionyl chloride
• Synonyms: (R)-2-(4-isobutylphenyl)propionyl chloride
• CAS NO: 114978-05-1
• Molecular Weight: 224.73
• Mol File: 114978-05-1.mol
• Article Data: 110

Chemical Properties

• CAS DataBase Reference: (R)-2-(4-isobutylphenyl)propionyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-2-(4-isobutylphenyl)propionyl chloride(114978-05-1)
• EPA Substance Registry System: (R)-2-(4-isobutylphenyl)propionyl chloride(114978-05-1)

Safety Data

• Hazardous Substances Data: 114978-05-1(Hazardous Substances Data)

Upstream product

• 15687-27-1 ibuprofen 
• 51146-57-7 (R)-ibuprofene 
• 79-37-8 oxalyl dichloride 
• 1553-60-2 ibufenac 
• 31121-93-4 sodium 2-(4-isobutylphenyl)propionate 
• 38588-43-1 p-isobutylphenylacetic acid chloride 

Downstream Products

• 60576-98-9 2-(4-Isobutyl-phenyl)-propionic acid 2-dimethylamino-2-phenyl-ethyl ester 
• 60576-82-1 2-(4-Isobutyl-phenyl)-propionic acid 2-dimethylamino-2-phenyl-butyl ester 
• 64622-43-1 2-(4-Isobutyl-phenyl)-propionic acid 2-morpholin-4-yl-ethyl ester 
• 119408-05-8 2-(4-isobutylphenyl)prop-1-en-1-one 
• 62394-52-9 2-(4-Isobutyl-phenyl)-propionic acid 2-(4-isobutyl-phenyl)-propyl ester 
• 131991-48-5 2-(4-Isobutyl-phenyl)-propionic acid 3-nitro-phenyl ester 
• 362470-66-4 (S)-1-carbamoylmethyl-4,4-dimethyl-2-oxopyrrolidinyl (S)-2-(4-isobutylphenyl)propionate 
• 15687-27-1 ibuprofen 
• 51146-56-6 (S)-ibuprofen 
• 51146-57-7 (R)-ibuprofene 
• 593279-84-6 2-[4-(2-methylpropyl)phenyl]-N-(pyridin-3-yl)propanamide 
• 593279-83-5 2-[4-(2-methylpropyl)phenyl]-N-(pyridin-2-yl)propanamide 
• 132161-87-6 2-(4-isobutyl-phenyl)-N-pyrimidin-2-yl-propionamide 
• 593279-85-7 2-(4-isobutyl-phenyl)-N-(5-methyl-pyridin-2-yl)-propionamide 

Relevant articles and documents

Synthesis, characterization and urease inhibition studies of transition metal complexes of thioureas bearing ibuprofen moiety

Starting from ibuprofen, a non-steroidal anti-inflammatory drug, N,N'-disubstituted thiourea derivatives were synthesized by refluxing the acid chloride of ibuprofen with potassium thiocyanate followed by substituted anilines to get N-2-(4-(2-methylpropyl

Design and study of some novel ibuprofen derivatives with potential nootropic and neuroprotective properties

Six novel ibuprofen derivatives and related structures, incorporating a proline moiety and designed for neurodegenerative disorders, are studied. They possess anti-inflammatory properties and three of them inhibited lipoxygenase. One compound was found to

Ethyl benzoate bearing pyrrolizine/indolizine moieties: Design, synthesis and biological evaluation of anti-inflammatory and cytotoxic activities

Two new series of ethyl benzoate bearing pyrrolizine and indolizine moieties 8–11 were synthesized and evaluated for their anti-inflammatory and anticancer activities. Among these derivatives, compounds 9a, 10b and 11b displayed in vivo anti-inflammatory

Synthesis of new ibuprofen derivatives with their in silico and in vitro cyclooxygenase-2 inhibitions

Cyclooxygenase-2 (COX-2) is one of the important targets for treatment of inflammation related diseases. In the literature, most of drug candidates are first synthesized and then their COX-2 inhibitory activities are tested by in vitro and in vivo experim

Self-assembly of a ibuprofen-peptide conjugate to suppress ocular inflammation

In the present study, we designed and synthesized a hydrogelator comprised of ibuprofen (IPF) and GFFY peptide linked through a cleavable ester bond. We found that the synthesized hydrogelator could spontaneously self-assemble into a hydrogel under a heat

Photoredox Catalyst Free, Visible Light-Promoted C3?H Acylation of Quinoxalin-2(1H)-ones in Water

A method for the synthesis of 3-acyl quinoxalin-2(1H)-ones through visible-light promoted decarboxylative acylation of α-oxo-carboxylic acids with quinoxalin-2(1H)-ones was developed. The reaction was performed in aqueous phase and photoredox catalyst was not required to run the process. (Figure presented.).

Design, synthesis and docking studies of some novel isocoumarin analogues as antimicrobial agents

A number of novel isocoumarin analogues have been synthesized by the condensation of homophthalic acid anhydride with different non-steroidal anti-inflammatory drugs (NSAIDs). To investigate the antimicrobial data on a structural basis, in silico docking studies of the synthesized compounds (4a-4g) into the crystal structure of UDP-N-acetylmuramate-l-alanine ligase using an Autodock PyRx virtual screening program were performed in order to predict the affinity and orientation of the synthesized compounds at the activities. UDP-N-acetylmuramate-l-alanine ligase is essential for d-glutamate metabolism and peptidoglycan biosynthesis in bacteria. R2 values showed good agreement with predicted binding affinities obtained by molecular docking studies. The results indicate that the basic nucleic portion of the (4c), (4g), (4f) and (4a) binds into the specificity pocket. In this pocket, the isocoumarin nucleus of these compounds interacts with the amino acid residue of the target. Moreover, it is verified by in vitro antimicrobial screening, in which all of the compounds were active against tested bacterial strains. Among these compounds (4c), (4g), (4f) and (4a) showed good bacterial zone inhibition. This journal is

Antiproliferative Activity of Gold(I) N-Heterocyclic Carbene and Triphenylphosphine Complexes with Ibuprofen Derivatives as Effective Enzyme Inhibitors

A series of gold(I) complexes of ligand ibuprofen-alkynyl (but-3-yn-1-yl 2-(4-isobutylphenyl)propanoate, LE) with N-heterocyclic carbene (LC: 1,3-dimethylimidazol-2-ylidene) and triphenylphosphine (PPh3) ligands with formula (LE)Au (LC) (comple

Synthesis and biological evaluation of new 1,3-Thiazolidine-4-one Derivatives of 2-(4-Isobutylphenyl)propionic Acid

New thiazolidine-4-one derivatives of 2-(4-isobutylphenyl)propionic acid (ibuprofen) have been synthesized as potential anti-inflammatory drugs. The structure of the new compounds was proved using spectral methods (FR-IR, 1H-NMR, 13C-NMR, MS). The in vitro antioxidant potential of the synthesized compounds was evaluated according to the total antioxidant activity, the DPPH and ABTS radical scavenging assays. Reactive oxygen species (ROS) and free radicals are considered to be involved in many pathological events like diabetes mellitus, neurodegenerative diseases, cancer, infections and more recently, in inflammation. It is known that overproduction of free radicals may initiate and amplify the inflammatory process via upregulation of genes involved in the production of proinflammatory cytokines and adhesion molecules. The chemical modulation of acyl hydrazones of ibuprofen 3a-l through cyclization to the corresponding thiazolidine-4-ones 4a-n led to increased antioxidant potential, as all thiazolidine-4-ones were more active than their parent acyl hydrazones and also ibuprofen. The most active compounds are the thiazolidine-4-ones 4e, m, which showed the highest DPPH radical scavenging ability, their activity being comparable with vitamin E.

α-(1H-Imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters as prodrugs of carboxylic acid containing drugs

Synthesis of α-(1H-imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters have been reported in 2-3 simple steps. α-(1H-Imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters were found to be chemically labile and thus serve as novel prodrugs of carboxylic acids.

Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups

α-C?H arylation of N-alkylamides using 2-iodoarylsulfonyl radical translocating arylating (RTA) groups is reported. The method allows the construction of α-quaternary carbon centers in amides. Various mono- and disubstituted RTA-groups are applied to the arylation of primary, secondary, and tertiary α-C(sp3)?H-bonds. These radical transformations proceed in good to excellent yields and the cascades comprise a 1,6-hydrogen atom transfer, followed by a 1,4-aryl migration with subsequent SO2 extrusion.

Photoredox-Catalyzed Difunctionalization of Unactivated Olefins for Synthesizing Lactam-Substituted gem-Difluoroalkenes

Herein, the synthesis of lactam-substituted gem-difluoroalkenes has been developed through a photoredox-catalyzed radical cascade reaction. This developed photoredox-catalyzed, Br?nsted base-assisted intramolecular 5-exo-trig cyclization/intermolecular radical addition/β-fluoride elimination reaction offers a simple method for producing lactam, carbamate, or urea-substituted gem-difluoroalkenes with good functional group tolerance and high yields.