13468-02-5

Basic information

• Product Name: dimethyl(2-phenoxyethyl)amine
• Synonyms: dimethyl(2-phenoxyethyl)amine;N,N-DIMETHYL-2-PHENOXYETHYLAMINE;(2-dimethylaminoethoxy)benzene;N,N-Dimethyl-2-phenoxy ethanamine;[2-(Dimethylamino)ethyl]phenyl ether;2-(N,N-Dimethylamino)ethyl phenyl ether
• CAS NO: 13468-02-5
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.2322
• EINECS: 236-724-0
• Mol File: 13468-02-5.mol
• Article Data: 13

Chemical Properties

• Melting Point: 163-164 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 232℃
• Flash Point: 67℃
• Appearance: /
• Density: 0.970
• Vapor Pressure: 0.062mmHg at 25°C
• Refractive Index: 1.505
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• PKA: 8.80±0.28(Predicted)
• CAS DataBase Reference: dimethyl(2-phenoxyethyl)amine(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl(2-phenoxyethyl)amine(13468-02-5)
• EPA Substance Registry System: dimethyl(2-phenoxyethyl)amine(13468-02-5)

Safety Data

• Hazardous Substances Data: 13468-02-5(Hazardous Substances Data)

Usage

Description

Dimethyl(2-phenoxyethyl)amine, also known as N,N-Dimethyl-2-phenoxyethanamine, is an organic compound with the molecular formula C10H15NO. It is a derivative of phenoxyethanamine, featuring two methyl groups attached to the nitrogen atom. dimethyl(2-phenoxyethyl)amine is known for its potential applications in the pharmaceutical and chemical industries due to its unique structural properties.

Uses

Used in Pharmaceutical Industry:
Dimethyl(2-phenoxyethyl)amine is used as a key intermediate compound for the synthesis of histone deacetylase (HDAC) inhibitors. These inhibitors play a crucial role in the development of drugs targeting various diseases, including cancer, by modulating gene expression and cellular processes. The compound's ability to interact with HDAC enzymes makes it a valuable component in the creation of therapeutic agents.

InChI:InChI=1/C10H15NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

Upstream product

• 124-40-3 dimethyl amine 
• 622-86-6 2-chloroethoxybenzene 
• 108-01-0 2-(N,N-dimethylamino)ethanol 
• 108-86-1 bromobenzene 
• 10397-59-8 N,N-dimethyl-α-phenoxyacetamide 
• 2862-39-7 2-(dimethylamino)ethyl bromide hydrobromide 
• 108-95-2 phenol 
• 64-17-5 ethanol 
• 141-52-6 sodium ethanolate 
• 122596-11-6 1,1,4,4-tetramethyl-piperazinediium; bis-(toluene-4-sulfonate) 
• 701-99-5 Phenoxyacetyl chloride 
• 122-59-8 2-phenoxyacetic acid 
• 139-02-6 sodium phenoxide 
• 122-99-6 2-Phenoxyethanol 

Downstream Products

• 10588-71-3 dimethyl-octyl-(2-phenoxy-ethyl)-ammonium; bromide 
• 538-71-6 domiphen brominde 
• 10561-60-1 dodecyl-dimethyl-(2-phenoxy-ethyl)-ammonium; chloride 
• 10561-61-2 hexadecyl-dimethyl-(2-phenoxy-ethyl)-ammonium; bromide 
• 78266-24-7 (4-methoxy-1-phenyl-naphth-2-ylmethyl)(β-phenoxyethyl)dimethylammonium bromide 
• 78250-15-4 (4-ethoxy-1-phenyl-naphth-2-ylmethyl)(β-phenoxyethyl)dimethylammonium bromide 
• 137325-68-9 Ethyl-dimethyl-(2-phenoxy-ethyl)-ammonium; iodide 
• 15182-06-6 2-(2-N,N-dimethylamino)ethoxybenzaldehyde 
• 21982-87-6 Choline phenyl ether iodide 
• 14704-78-0 C₃₀H₅₀N₂O₂⁽²⁺⁾*2Br^(1-) 
• 259183-86-3 4-(2-(dimethylamino)ethoxy)benzenesulfonylchloride 
• 866414-63-3 sodium 4-(2-dimethylaminoethoxy)-benzenesulfonate 
• 122898-67-3 itopride 
• 122892-31-3 N-<4-<2-(dimethylamino)ethoxy>benzyl>-3,4-dimethoxybenzamide hydrochloride 

Relevant articles and documents

The solid state structures of ortho-lithio-β-(N,N-dimethylamino)ethoxybenzene and the corresponding sodium compound: A new type of organolithium tetramer and a first example of an organosodium hexamer

The crystal structures of ortho-lithio-β-(N,N-dimethylamino)ethoxybenzene (2) and the corresponding sodium compound (3) are presented. 2 displays a new type of organolithium tetramer and 3 is the first example of an organosodium hexamer in the solid state

Mustard Carbonate Analogues as Sustainable Reagents for the Aminoalkylation of Phenols

N,N-dialkyl ethylamine moiety can be found in numerous scaffolds of macromolecules, catalysts, and especially pharmaceuticals. Common synthetic procedures for its incorporation in a substrate relies on the use of a nitrogen mustard gas or on multistep syntheses featuring chlorine hazardous/toxic chemistry. Reported herein is a one-pot synthetic approach for the easy introduction of aminoalkyl chain into different phenolic substrates through dialkyl carbonate (β-aminocarbonate) chemistry. This new direct alcohol substitution avoids the use of chlorine chemistry, and it is efficient on numerous pharmacophore scaffolds with good to quantitative yield. The cytotoxicity via MTT of the β-aminocarbonate, key intermediate of this synthetic approach, was also evaluated and compared with its alcohol precursor.

Synthesis and characterization of herbicidal ionic liquids based on (4-chloro-2-methylphenoxy)acetate and phenoxyethylammonium

Ten ionic liquids containing the (4-chloro-2-methylphenoxy)acetate (MCPA) anion and domiphen derived phenoxyethylammonium cation were synthesized. The obtained compounds differed in terms of the substitution of the phenoxyethylammonium group in the ring (the presence of a methyl group in the meta or para positions and the presence of chlorine in the para position) as well as the length of the alkyl chain (from hexyl to tetradecyl). The basic physicochemical properties of the obtained ionic liquids (solubility and thermal stability) were characterized and their structures were confirmed. The herbicidal activity of the compounds was tested under greenhouse conditions using cornflower (Centaurea cyanus L.) as the test plant.