770-18-3

Basic information

• Product Name: BenzeneMethanaMine, 3-fluoro-N,N-diMethyl-
• Synonyms: BenzeneMethanaMine, 3-fluoro-N,N-diMethyl-
• CAS NO: 770-18-3
• Molecular Formula: C₉H₁₂FN
• Molecular Weight: 153.1966832
• Mol File: 770-18-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 164.3°Cat760mmHg
• Flash Point: 53.2°C
• Appearance: /
• Density: 1.019g/cm³
• Vapor Pressure: 1.98mmHg at 25°C
• Refractive Index: 1.499
• CAS DataBase Reference: BenzeneMethanaMine, 3-fluoro-N,N-diMethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: BenzeneMethanaMine, 3-fluoro-N,N-diMethyl-(770-18-3)
• EPA Substance Registry System: BenzeneMethanaMine, 3-fluoro-N,N-diMethyl-(770-18-3)

Safety Data

• Hazardous Substances Data: 770-18-3(Hazardous Substances Data)

Usage

General Description

BenzeneMethanaMine, 3-fluoro-N,N-diMethyl- is a chemical compound used in the pharmaceutical industry as a reagent in the synthesis of various drugs and medications. It is also used in research laboratories for its potential medicinal properties. BenzeneMethanaMine, 3-fluoro-N,N-diMethyl- is known for its fluorinated carbon structure, which gives it unique properties and makes it valuable in drug development and synthesis. However, it is important to handle this chemical with care as it can be hazardous if not properly managed, as with any chemical compound used in pharmaceutical and research applications.

InChI:InChI=1/C9H12FN/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 403-54-3 m-Fluorobenzonitrile 
• 506-59-2 N,N-dimethylammonium chloride 
• 456-48-4 3-Fluorobenzaldehyde 
• 124-40-3 dimethyl amine 
• 456-42-8 m-fluorobenzyl chloride 

Downstream Products

• 675587-66-3 N,N-dimethyl-2-nitro-5-fluorobenzylamine 
• 1258839-94-9 ethyl 2-((dimethylamino)methyl)-4-fluorobenzoate 
• 167031-65-4 Hg(C₆H₃-3-F-6-CH₂NMe₂)2 
• 675587-70-9 N^α-acetyl-S-(2,4-dinitro-5-(dimethylaminomethyl)phenyl)-L-cysteine 
• 675587-65-2 N,N-dimethyl-2,4-dinitro-5-fluorobenzylamine 

Relevant articles and documents

Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated amines from nitriles using methanol: Experimental and computational studies

Direct and selective synthesis of N,N-dimethylated amines from nitriles using methanol as C1 building blocks is reported using an air- and moisture-stable ruthenium complex. Following this process, various aromatic as well as aliphatic nitriles were converted to the corresponding N-methylated amines. Interestingly, tandem C-methylation as well as N-methylation was achieved by introducing multiple methyl groups. The practical aspect of this process was revealed by preparative-scale reactions with different nitriles and the synthesis of anti-allergic drug "avil". Several kinetic experiments and detailed DFT calculations were carried out to understand the mechanism of this process.

LiCl-Promoted Pd(ii)-catalyzed ortho carbonylation of N,N- dimethylbenzylamines

Palladium-catalyzed highly regioselective carbonylation of substituted N,N-dimethylbenzylamines with the assistance of LiCl was developed. The ortho-functionalized N,N-dimethylbenzylamine was further transformed into ortho-methyl benzoate under mild conditions. These two transformations could be combined into one pot to produce the desired product in moderate yield. Applications of this methodology to synthesize the fragments of variolaric acid were also studied.

Substituent effects. 14. Anomalous dissociation constants in water-organic solvent mixtures: benzylammonium ions and related systems

Thermodynamic dissociation constants in various water-organic solvent mixtures are given for benzylammonium, benzyldialkylammonium, and (2-phenylethyl)ammonium ions.Deviations from the Hammett equation (Eqn. 1) are similar to those observed for carboxylic acids, but of opposite sign.The extended Hammett equation (Eqn. 3), containing the hydrophobic constant, ?, yields good correlations.Derived secondary normal sigma values are exemplified.