60509-35-5

Basic information

• Product Name: N-(4-FLUOROBENZYL)BUTAN-1-AMINE
• Synonyms: CHEMBRDG-BB 9071894;N-(4-FLUOROBENZYL)BUTAN-1-AMINE;AKOS LT-992X0116;N-(4-FLUOROBENZYL)-1-BUTANAMINE;N-(4-FLUOROPHENYLMETHYL)BUTYLAMINE;UKRORGSYN-BB BBV-125484;N-(4-fluorobenzyl)-1-butanamine(SALTDATA: HCl);N-n-Butyl-4-fluorobenzylaMine, 97%
• CAS NO: 60509-35-5
• Molecular Formula: C₁₁H₁₆FN
• Molecular Weight: 181.25
• Mol File: 60509-35-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 237.6°C at 760 mmHg
• Flash Point: 97.5°C
• Appearance: /
• Density: 0.98g/cm³
• Vapor Pressure: 0.0444mmHg at 25°C
• Refractive Index: 1.488
• CAS DataBase Reference: N-(4-FLUOROBENZYL)BUTAN-1-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: N-(4-FLUOROBENZYL)BUTAN-1-AMINE(60509-35-5)
• EPA Substance Registry System: N-(4-FLUOROBENZYL)BUTAN-1-AMINE(60509-35-5)

Safety Data

• Hazardous Substances Data: 60509-35-5(Hazardous Substances Data)

Usage

General Description

N-(4-Fluorobenzyl)butan-1-amine is a chemical compound with the molecular formula C11H15FN. It is a crystalline solid that is commonly used as a building block in organic synthesis and medicinal chemistry. The compound contains a fluorine atom and a benzyl group, attached to a butylamine chain. It is often used as a precursor in the synthesis of various pharmaceuticals and agrochemicals. The presence of the fluorine atom in its structure makes it useful in drug design, as fluorine substitution can often enhance the biological activity and metabolic stability of pharmaceutical compounds. Additionally, the benzyl group makes it a versatile building block for the synthesis of various organic molecules.

InChI:InChI=1/C11H16FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3

Upstream product

• 109-65-9 1-bromo-butane 
• 140-75-0 para-fluorobenzylamine 
• 459-57-4 4-fluorobenzaldehyde 
• 109-73-9 N-butylamine 
• 108088-69-3 4-fluorobenzylidenebutylamine 
• 459-23-4 4-fluorobenzaldoxime 
• 123-72-8 butyraldehyde 

Relevant articles and documents

Photocatalyzed cascade Meerwein addition/cyclization of: N -benzylacrylamides toward azaspirocycles

A visible-light-induced cascade Meerwein addition/cyclization of alkenes involving C-F bond cleavage was developed. This method offers a rapid access to azaspirocyclic cyclohexadienones from N-benzylacrylamides via C-F bond cleavage applying H2O as an external oxygen source, allowing for the incorporation of various aromatic moieties originating from aryldiazonium salts.

Synthesis, structural, DFT calculations and Hirshfeld surface analysis of (N-butyl-N-(4-fluorobenzyl)dithiocarbamato-S,S')-(thiocyanato-N)(triphenylphosphine)nickel(II) and preparation of nickel sulfide from nickel(II) dithiocarbamate

Bis(N-butyl-N-(4-fluorobenzyl)dithiocarbamato-S,S’)nickel(II) (1) and (N-butyl-N-(4-fluorobenzyl) dithiocarbamato-S,S’)(thiocyanato-N)(triphenylphosphine)-nickel(II) (2) have been prepared. Both the complexes have been characterized by elemental analyses, IR, electronic and 1H and 13C NMR spectroscopy. Single crystal X-ray analysis of complex 2 showed a distorted square planar configuration around the nickel atom due to steric effect of the triphenylphosphine and the bidentate chelation by two sulfur atoms of the dithiocarbamate ligand. UV-Vis spectral data of 1 and 2 are consistent with the formation of square planar nickel(II) complexes. Hirshfeld surface analysis was also carried out to provide qualitative and quantitative insights into the intermolecular interactions in 2. Molecular electrostatic potential surfacemap reveals that the negative charge is delocalized over S atoms of NCS2 and the positive charge is localized over N atom of NCS2 group. This indicates the considerable double bond character of the C-N (thioureide) bond. Nickel sulfide nanoparticles have been prepared from complex 1 and characterized using PXRD, EDS, UV-DRS, and SEM. EDS analysis confirm the formation of nickel sulfide.

Hydroamination of carbonyl compounds with oximes

N-alkyl(cycloalkyl)benzylamines, p-fluorobenzylamines, (1-phenylethyl) amines, [1-(p-fluorophenyl)ethyl]amines were synthesized by hydroamination of aldehydes and ketones with oximes.