383127-79-5

Basic information

• Product Name: 2-(3-BROMO-PHENYL)-PYRROLIDINE
• Synonyms: 2-(3-BROMO-PHENYL)-PYRROLIDINE;AKOS BB-8865;2-(3-bromophenyl)pyrrolidine(SALTDATA: HCl);2-(3-bromophenyl)pyrrolidine 1HCl;2-(3-BroMophenyl)pyrrolidine 97%
• CAS NO: 383127-79-5
• Molecular Formula: C₁₀H₁₂BrN
• Molecular Weight: 226.11
• Mol File: 383127-79-5.mol

Chemical Properties

• Boiling Point: 286℃
• Flash Point: 127℃
• Appearance: /
• Density: 1.369
• Vapor Pressure: 0.00269mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 9.95±0.10(Predicted)
• CAS DataBase Reference: 2-(3-BROMO-PHENYL)-PYRROLIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-BROMO-PHENYL)-PYRROLIDINE(383127-79-5)
• EPA Substance Registry System: 2-(3-BROMO-PHENYL)-PYRROLIDINE(383127-79-5)

Safety Data

• Hazardous Substances Data: 383127-79-5(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry:
2-(3-BROMO-PHENYL)-PYRROLIDINE is used as a potential precursor in the synthesis of pharmaceuticals for its distinct chemical properties and reactivity. The bromine atom in the phenyl group allows for further functionalization and modification, making it suitable for the development of new drugs with specific therapeutic targets.
Used in Agrochemicals:
In the agrochemical industry, 2-(3-BROMO-PHENYL)-PYRROLIDINE is utilized as a starting material for the synthesis of various agrochemicals, such as pesticides and herbicides. Its unique structure and reactivity contribute to the development of effective and targeted agrochemicals for crop protection and management.
Used in Organic Synthesis:
2-(3-BROMO-PHENYL)-PYRROLIDINE is employed as a versatile building block in organic synthesis for the creation of diverse organic compounds. Its structure allows for various chemical reactions, enabling the synthesis of complex molecules with potential applications in different fields, such as materials science, pharmaceuticals, and agrochemicals.

InChI:InChI=1/C10H12BrN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2

Upstream product

• 374589-00-1 5-(3-bromophenyl)-3,4-dihydro-2H-pyrrole 
• 108-36-1 1,3-dibromobenzene 
• 207681-67-2 N-methoxy-N-methyl-3-bromobenzamide 

Downstream Products

• 1171897-02-1 tert-butyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxylate 
• 871717-03-2 tert-butyl 2-(3-bromophenyl)pyrrolidine-1-carboxylate 
• 917905-15-8 1-[2-(3-bromo-phenyl)-pyrrolidin-1-yl]-2-hydroxy-2-(4-methylsulfanyl-phenyl)-ethanone 
• 917905-03-4 2-[2-(3-bromo-phenyl)-pyrrolidin-1-yl]-1-(4-methoxy-phenyl)-ethanone 

Relevant articles and documents

Derisking the Cu-Mediated 18F-Fluorination of Heterocyclic Positron Emission Tomography Radioligands

Molecules labeled with fluorine-18 (18F) are used in positron emission tomography to visualize, characterize and measure biological processes in the body. Despite recent advances in the incorporation of 18F onto arenes, the development of general and efficient approaches to label radioligands necessary for drug discovery programs remains a significant task. This full account describes a derisking approach toward the radiosynthesis of heterocyclic positron emission tomography (PET) radioligands using the copper-mediated 18F-fluorination of aryl boron reagents with 18F-fluoride as a model reaction. This approach is based on a study examining how the presence of heterocycles commonly used in drug development affects the efficiency of 18F-fluorination for a representative aryl boron reagent, and on the labeling of more than 50 (hetero)aryl boronic esters. This set of data allows for the application of this derisking strategy to the successful radiosynthesis of seven structurally complex pharmaceutically relevant heterocycle-containing molecules.

HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS

Certain hexahydro-pyrrolo-isoquinoline compounds are histamine H3 receptor and serotonin transporter modulators useful in the treatment of histamine H3 receptor- and serotonin-mediated diseases.

Hammett correlation of nornicotine analogues in the aqueous aldol reaction: Implications for green organocatalysis

(Chemical Equation Presented) A series of meta- and para-substituted 2-arylpyrrolidines were synthesized and examined for their ability to catalyze an aqueous aldol reaction under buffered conditions. Kinetic analysis of arylpyrrolidine-catalyzed reactions displayed a linear Hammett correlation with ρ = 1.14 (R2 = 0.996), indicating that the reaction is accelerated by electron-withdrawing aryl rings. These results show promise for the development of a synthetically viable aqueous organocatalyst.