81740-18-3

Basic information

• Product Name: 1-N-BOC-3-FLUORO-ANILINE
• Synonyms: Carbamic acid, N-(3-fluorophenyl)-, 1,1-dimethylethyl ester;3-Fluoroaniline, N-BOC protected;N-(tert-butyloxycarbonyl)-Meta-fluoroaniline;N-(tert-Butoxycarbonyl)-3-fluoroaniline;N-Boc-3-fluoroaniline
• CAS NO: 81740-18-3
• Molecular Formula: C₁₁H₁₄FNO₂
• Molecular Weight: 211.235
• Mol File: 81740-18-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 123-124℃
• Boiling Point: 231.6°C at 760 mmHg
• Flash Point: 93.9°C
• Appearance: /
• Density: 1.156g/cm³
• Vapor Pressure: 0.0619mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: 2-8°C
• PKA: 13.08±0.70(Predicted)
• CAS DataBase Reference: 1-N-BOC-3-FLUORO-ANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-N-BOC-3-FLUORO-ANILINE(81740-18-3)
• EPA Substance Registry System: 1-N-BOC-3-FLUORO-ANILINE(81740-18-3)

Safety Data

• Hazardous Substances Data: 81740-18-3(Hazardous Substances Data)

Usage

General Description

1-N-BOC-3-FLUORO-ANILINE is a chemical compound with the molecular formula C14H18FN2O2. It is a derivative of aniline, which is used in the production of dyes, pharmaceuticals, and other organic compounds. The compound contains a fluorine atom and a BOC (tert-butyloxycarbonyl) protecting group, which makes it useful in organic synthesis as a building block for various organic molecules. It is also used as an intermediate in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients. 1-N-BOC-3-FLUORO-ANILINE is a versatile reagent that has applications in medicinal chemistry, agrochemicals, and materials science due to its unique chemical properties and reactions.

InChI:InChI=1/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)

Upstream product

• 372-19-0 meta-fluoroaniline 
• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 81740-25-2 2-Oxo-2,3-dihydro-benzooxazole-7-carboxylic acid (4-chloro-phenyl)-amide 
• 81740-24-1 7-(Hydroxy-phenyl-methyl)-3H-benzooxazol-2-one 
• 81740-26-3 7-Phenylsulfanyl-3H-benzooxazol-2-one 
• 329217-19-8 N-(tert-butoxycarbonyl)-3-fluoro-2-thiophenylaniline 
• 329217-21-2 3-fluoro-2-thiophenylaniline 
• 329217-23-4 3-fluoro-2-(thiophenyl)phenyl isocyanate 
• 1182602-58-9 tert-butyl 3-fluoro-2-(trimethylsilyl)phenylcarbamate 
• 1182602-61-4 tert-butyl 3-fluoro-2,4-bis(trimethylsilyl)phenylcarbamate 
• 1351593-82-2 6-(3,5-dimethoxy-4-propoxybenzyl)-3-ethyloxazolo[4,5-H]isoquinolin-2(3H)-one 
• 1351593-84-4 6-(3,5-dimethoxy-4-propoxybenzoyl)-3-ethyloxazolo[4,5-H]isoquinolin-2(3H)-one 
• 861931-75-1 tert-butyl N-(2-bromo-5-fluorophenyl)carbamate 
• 1057720-44-1 tert-butyl N-(2-bromo-5-fluorophenyl)-N-(prop-2-ynyl)carbamate 

Relevant articles and documents

Ligand-Promoted Meta-C-H Arylation of Anilines, Phenols, and Heterocycles

Here we report the development of a versatile 3-acetylamino-2-hydroxypyridine class of ligands that promote meta-C-H arylation of anilines, heterocyclic aromatic amines, phenols, and 2-benzyl heterocycles using norbornene as a transient mediator. More than 120 examples are presented, demonstrating this ligand scaffold enables a wide substrate and coupling partner scope. Meta-C-H arylation with heterocyclic aryl iodides as coupling partners is also realized for the first time using this ligand. The utility for this transformation for drug discovery is showcased by allowing the meta-C-H arylation of a lenalidomide derivative. The first steps toward a silver-free protocol for this reaction are also demonstrated.

MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS

The present invention relates to compounds compound according to Formula (III); and pharmaceutically acceptable salts, hydrates and solvates thereof. These compounds have D2receptor antagonist/(partial) agonist effects and H3antagonistic effects, pharmaceutical compositions thereof, and methods of using them for application in the prophylaxis or treatment of CNS disorders.

Comparative catalytic C-H vs. C-Si activation of arenes with Pd complexes directed by urea or amide groups

Analysis of regiocontrol in Pd-catalysed C-H activation leads to observations of aryltrimethylsilyl activation and to superior results with urea-based substrates.