223557-19-5

Basic information

• Product Name: 4-Bromo-N-propylbenzamide
• Synonyms: 4-Bromo-N-propylbenzamide;N-Propyl 4-bromobenzamide;4-bromo-N-propylbenzamide(SALTDATA: FREE)
• CAS NO: 223557-19-5
• Molecular Formula: C₁₀H₁₂BrNO
• Molecular Weight: 242.11
• Product Categories: blocks;Bromides;Carboxes
• Mol File: 223557-19-5.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 352°Cat760mmHg
• Flash Point: 166.7°C
• Appearance: /
• Density: 1.352g/cm³
• Vapor Pressure: 3.95E-05mmHg at 25°C
• Refractive Index: 1.547
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-Bromo-N-propylbenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-N-propylbenzamide(223557-19-5)
• EPA Substance Registry System: 4-Bromo-N-propylbenzamide(223557-19-5)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 223557-19-5(Hazardous Substances Data)

Usage

General Description

4-Bromo-N-propylbenzamide is a chemical compound with the molecular formula C10H12BrNO. It belongs to the class of organic compounds known as benzoic acid and derivatives. These are compounds containing a benzene ring that is conjugated to a carboxylic acid. 4-Bromo-N-propylbenzamide is relatively non-volatile and can be found in a solid-state at room temperature. As this compound contains nitrogen (N), bromine (Br), and carbon (C) atoms, the chemical properties will depend on the type and strength of the bonds formed between these atoms. Its exact uses or applications may vary and would need to be determined by further study and research.

InChI:InChI=1/C10H12BrNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)

Upstream product

• 107-10-8 propylamine 
• 1122-91-4 4-bromo-benzaldehyde 
• 586-75-4 4-chlorobenzoyl chloride 
• 873-75-6 4-bromobenzenemethanol 
• 39887-27-9 N-allyl-4-bromobenzamide 
• 586-76-5 4-Bromobenzoic acid 

Downstream Products

• 479687-38-2 Benzoic acid (S)-1-[(S)-2-phenyl-2-(4-propylcarbamoyl-phenylamino)-ethyl]-pyrrolidin-3-yl ester 
• 223555-36-0 (4-N-propylaminocarbonylphenyl)tributylstannane 
• 873329-93-2 N-n-propyl-4-phenylethynyl-benzamide 
• 473916-34-6 (2'S,3S)-3-benzoyloxy-N-{2-[N-methyl-N-4-(N-propylaminocarbonyl)phenyl]amino-2-phenyl}ethylpyrrolidine 
• 204970-97-8 (2'S,3S)-3-hydroxy-N-{2-[N-methyl-N-4-(N-propylaminocarbonyl)phenyl]amino-2-phenyl}ethylpyrrolidine 
• 876747-69-2 4-(2,2-dioxo-4-phenyl-1,2,3-oxathiazolidin-3-yl)-N-(propyl)benzamide 
• 876747-67-0 4-(2-oxo-4-phenyl-1,2,3-oxathiazolidin-3-yl)-N-(propyl)benzamide 
• 876747-64-7 4-(2-hydroxy-1-phenylethylamino)-N-(propyl)benzamide 
• 572923-17-2 4-(4-phenyl-2-oxo-oxazolidin-3-yl)-N-propyl-benzamide 

Relevant articles and documents

Cobalt-catalyzed alkene hydrogenation by reductive turnover

Earth abundant metal catalysts hold advantages in cost, environmental burden and chemoselectivity over precious metal catalysts. Differences in reactivity for a given metal center result from ligand field strength, which can promote reaction through either open- or closed-shell carbon intermediates. Herein we report a simple protocol for cobalt-catalyzed alkene reduction. Instead of using an oxidative turnover mechanism that requires stoichiometric hydride, we find a reductive turnover mechanism that requires stoichiometric proton. The reaction mechanism appears to involve coordination and hydrocobaltation of terminal alkenes.

Synthesis of CF3-containing isoindolinone derivatives through rhodium-catalyzed oxidative coupling of benzamides with 2-trifluoromethylacrylate

The oxidative coupling of benzamides with methyl 2- trifluoromethylacrylate proceeds smoothly under rhodium(III) catalysis to produce trifluoromethyl-substituted isoindolinone derivatives. The catalyst system [CpERhCl2]2/AgSbF6 is effective for the oxidat

Structure-Guided Modification of Heterocyclic Antagonists of the P2Y14 Receptor

The P2Y14 receptor (P2Y14R) mediates inflammatory activity by activating neutrophil motility, but few classes of antagonists are known. We have explored the structure-activity relationship of a 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-5-(aryl)benzoic acid antagonist scaffold, assisted by docking and molecular dynamics (MD) simulation at a P2Y14R homology model. A computational pipeline using the High Throughput MD Python environment guided the analogue design. Selection of candidates was based upon ligand-protein shape and complementarity and the persistence of ligand-protein interactions over time. Predictions of a favorable substitution of a 5-phenyl group with thiophene and an insertion of a three-methylene spacer between the 5-aromatic and alkyl amino moieties were largely consistent with empirical results. The substitution of a key carboxylate group on the core phenyl ring with tetrazole or truncation of the 5-aryl group reduced affinity. The most potent antagonists, using a fluorescent assay, were a primary 3-aminopropyl congener 20 (MRS4458) and phenyl p-carboxamide 30 (MRS4478).