769944-78-7

Basic information

• Product Name: 1-N-BOC-4-(4-BROMOPHENYL)PIPERIDINE
• Synonyms: 1-N-BOC-4-(4-BROMOPHENYL)PIPERIDINE;4-(4-BROMO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;N-Boc-4-(4-broMophenyl)piperidine;1-Boc-4-(4-Bromo-phenyl)-piperidine;1-Piperidinecarboxylic acid, 4-(4-bromophenyl)-, 1,1-dimethylethyl ester
• CAS NO: 769944-78-7
• Molecular Formula: C₁₆H₂₂BrNO₂
• Molecular Weight: 340.27
• Mol File: 769944-78-7.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 398.5 °C at 760 mmHg
• Flash Point: 194.8 °C
• Appearance: /
• Density: 1.283 g/cm³
• Storage Temp.: 2-8°C
• PKA: -1.75±0.40(Predicted)
• CAS DataBase Reference: 1-N-BOC-4-(4-BROMOPHENYL)PIPERIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-N-BOC-4-(4-BROMOPHENYL)PIPERIDINE(769944-78-7)
• EPA Substance Registry System: 1-N-BOC-4-(4-BROMOPHENYL)PIPERIDINE(769944-78-7)

Safety Data

• Hazardous Substances Data: 769944-78-7(Hazardous Substances Data)

Usage

General Description

1-N-Boc-4-(4-Bromophenyl)piperidine is a chemical compound that belongs to the class of piperidine derivatives. It is also known by its IUPAC name, N-tert-Butoxycarbonyl-4-(4-bromophenyl)piperidine. 1-N-Boc-4-(4-Bromophenyl)piperidine has potential applications in pharmaceutical research and drug development, particularly in the field of medicinal chemistry. It is commonly used as a building block for the synthesis of various biologically active molecules, such as pharmaceutical intermediates and drug candidates. The presence of a Boc (tert-butoxycarbonyl) group on the piperidine ring makes it a versatile and valuable reagent in organic synthesis. The addition of a bromophenyl group to the piperidine core further enhances its chemical properties and potential applications. Overall, 1-N-Boc-4-(4-Bromophenyl)piperidine is an important chemical compound with diverse potential applications in the pharmaceutical and chemical industries.

Upstream product

• 84358-13-4 N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 1510865-53-8 tert-butyl 4-(2-((4-methoxyphenyl)sulfonyl)hydrazono)piperidine-1-carboxylate 
• 5467-74-3 4-Bromophenylboronic acid 
• 769944-79-8 4-(4-bromophenyl)piperidine hydrogen chloride salt 
• 80980-89-8 4-(4’-bromophenyl)piperidine 

Downstream Products

• 956136-85-9 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester 
• 732275-93-3 4-(4-formylphenyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester 
• 80980-89-8 4-(4’-bromophenyl)piperidine 
• 1510865-59-4 N-tert-butoxycarbonyl-4-(4-iodophenyl)-3,4(2H)-piperidine 
• 1202236-84-7 C₃₉H₄₆N₂O₄ 
• 1009664-39-4 C₁₉H₁₉N 
• 942190-01-4 2-[4-(1,2,3,6-tetrahydro-pyridin-4-yl)-phenyl]-pyrimidine trifluoroacetate 
• 942190-02-5 2-chloro-1-[4-(4-pyrimidin-2-yl-phenyl)-3,6-dihydro-2H-pyridin-1yl]-ethanone 

Relevant articles and documents

DOCK1-INHIBITING COMPOUND AND USE THEREOF

Provided is a compound that is usable as an active ingredient of an anticancer agent. Preferably provided is a compound that has DOCK1-inhibiting activity and exerts an anticancer effect based on the activity. A compound represented by the following formula (A) or a salt thereof: wherein X represents a carbon atom or a nitrogen atom; Y represents an oxygen atom, a hydroxy group, or a hydrocarbon group; R1 and R2 are different, and each represents a hydrogen atom or a group represented by the following formula (A-1): (wherein R6 represents a pyrrolidino group or a phenyl group, and n2 is 0 or 1) ; R3 represents -CO-R7 (wherein R7 is an alkoxy group, an alkyl group, or an alkylamino group), a 1,3-oxazole group, an alkylhydroxy group, a hydrogen atom, or an oxygen atom; R4 represents a hydrogen atom, an oxygen atom, or a hydrocarbon group in which one or more hydrogen atoms may be replaced by one or more substituents; R5 represents a halogen atom, a halogenated alkyl group, or a halogenated alkylthio group; and n1 is an integer of 0 to 5; and

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).

Nickel-Catalyzed Cross-Coupling of Redox-Active Esters with Boronic Acids

A transformation analogous in simplicity and functional group tolerance to the venerable Suzuki cross-coupling between alkyl-carboxylic acids and boronic acids is described. This Ni-catalyzed reaction relies upon the activation of alkyl carboxylic acids as their redox-active ester derivatives, specifically N-hydroxy-tetrachlorophthalimide (TCNHPI), and proceeds in a practical and scalable fashion. The inexpensive nature of the reaction components (NiCl2?6 H2O—$9.5 mol?1, Et3N) coupled to the virtually unlimited commercial catalog of available starting materials bodes well for its rapid adoption.