168820-15-3

Basic information

• Product Name: 1-(3-BROMOBENZYL)PYRROLIDINE
• Synonyms: 1-[(3-BROMOPHENYL)METHYL]-PYRROLIDINE;1-(3-BROMOBENZYL)PYRROLIDINE;CHEMBRDG-BB 9071083;AKOS ISYA00821
• CAS NO: 168820-15-3
• Molecular Formula: C₁₁H₁₄BrN
• Molecular Weight: 240.14
• Product Categories: alkyl bromide
• Mol File: 168820-15-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 284.294 °C at 760 mmHg
• Flash Point: 125.737 °C
• Appearance: /
• Density: 1.378 g/cm³
• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.591
• Storage Temp.: 2-8°C
• PKA: 9?+-.0.20(Predicted)
• CAS DataBase Reference: 1-(3-BROMOBENZYL)PYRROLIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-BROMOBENZYL)PYRROLIDINE(168820-15-3)
• EPA Substance Registry System: 1-(3-BROMOBENZYL)PYRROLIDINE(168820-15-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 168820-15-3(Hazardous Substances Data)

Usage

General Description

1-(3-bromobenzyl)pyrrolidine is a chemical compound with the molecular formula C13H16BrN. It is a heterocyclic compound containing a pyrrolidine ring and a 3-bromobenzyl group. This chemical is commonly used in the synthesis of pharmaceuticals and agrochemicals due to its potential as a building block for drug discovery and development. It is also used in the synthesis of organic compounds and has been studied for its potential as an antidepressant drug candidate. The compound's unique structure and reactivity make it a valuable tool in organic chemistry research and synthesis.

InChI:InChI=1/C11H14BrN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2

Upstream product

• 346721-91-3 (3-bromophenyl)(pyrrolidin-1-yl)methanone 
• 123-75-1 pyrrolidine 
• 823-78-9 meta-bromobenzyl bromide 
• 3132-99-8 m-bromobenzoic aldehyde 
• 15852-73-0 (3-Bromophenyl)methanol 
• 609-36-9 rac-Pro-OH 

Downstream Products

• 1228588-13-3 ethyl 2-((6-amino-2-butoxy-5-nitropyrimidin-4-yl)(3-(pyrrolidin-1-ylmethyl)benzyl)amino)acetate 
• 884507-42-0 3-(pyrrolidin-1′-ylmethyl)-benzaldehyde 

Relevant articles and documents

A practical catalytic reductive amination of carboxylic acids

We report reductive alkylation reactions of amines using carboxylic acids as nominal electrophiles. The two-step reaction exploits the dual reactivity of phenylsilane and involves a silane-mediated amidation followed by a Zn(OAc)2-catalyzed amide reduction. The reaction is applicable to a wide range of amines and carboxylic acids and has been demonstrated on a large scale (305 mmol of amine). The rate differential between the reduction of tertiary and secondary amide intermediates is exemplified in a convergent synthesis of the antiretroviral medicine maraviroc. Mechanistic studies demonstrate that a residual 0.5 equivalents of carboxylic acid from the amidation step is responsible for the generation of silane reductants with augmented reactivity, which allow secondary amides, previously unreactive in zinc/phenylsilane systems, to be reduced.

METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS

The present invention provides methods of preparing 4-amino-2-biitoxy-8-(3- (pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5H)-one and related compounds.