Ethanamine, N,N-dimethyl-2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-

Base Information

• Chemical Name: Ethanamine, N,N-dimethyl-2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-
• CAS No.: 5442-83-1
• Molecular Formula: C20H35NO2
• Molecular Weight: 321.503
• Hs Code.: 2922299090
• NSC Number: 13834
• DSSTox Substance ID: DTXSID3063889
• Nikkaji Number: J29.623F
• Wikidata: Q81991073
• Mol file: 5442-83-1.mol

Synonyms:5442-83-1;Ethanamine, N,N-dimethyl-2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-;N,N-dimethyl-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine;n,n-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanamine;NSC 13834;Ethanamine, N,N-dimethyl-2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]-;N,N-Dimethyl-2,(2-(4-(2,4,4-trimethyl pentan-2-yl)phenoxy)ethoxy)ethanamine;NSC13834;SCHEMBL171239;DTXSID3063889;NSC-13834;p-tert-octyl phenoxy ethoxy ethyl dimethylamine;Ethanamine,N-dimethyl-2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]-;N,N-Dimethyl-2-[2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethylamine

Chemical Property of Ethanamine, N,N-dimethyl-2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-

Chemical Property:

• Vapor Pressure: 1.23E-06mmHg at 25°C
• Boiling Point: 400.9°C at 760 mmHg
• Flash Point: 102.3°C
• PSA: 21.70000
• Density: 0.939g/cm³
• LogP: 4.35740
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 321.266779359
• Heavy Atom Count: 23
• Complexity: 312

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCN(C)C

Technology Process of Ethanamine, N,N-dimethyl-2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-

There total 4 articles about Ethanamine, N,N-dimethyl-2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol (2315-67-5,9077-65-0) + 2-(dimethylamino)ethyl chloride (107-99-3) → (p-tert-octylphenoxyethoxyethyl)dimethylamine (5442-83-1)

Guidance literature:

2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol; With N-benzyl-N,N,N-triethylammonium chloride; In toluene; Heating / reflux;

2-(dimethylamino)ethyl chloride; In toluene; for 16 - 23h; Heating / reflux;

Reference yield:

dimethyl amine (124-40-3) + 1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene (65925-28-2) → (p-tert-octylphenoxyethoxyethyl)dimethylamine (5442-83-1)

Guidance literature:

at 180 ℃;

Reference yield:

p-tert-octylphenoxyethoxyethyl bromide (1428422-45-0) + dimethyl amine (124-40-3) → (p-tert-octylphenoxyethoxyethyl)dimethylamine (5442-83-1)

Guidance literature:

With tetrabutylammomium bromide; In water; at 130 ℃; for 5h; Sealed tube;

upstream raw materials:

dimethyl amine

1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene

tert-octylphenol

2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol

Downstream raw materials:

benzethonium cloride

C₂₈H₄₄NO₃⁽¹⁺⁾*Cl^(1-)

Refernces

• 1、 -. "METHOD FOR PREPARATION OF ARYL POLY(OXALKYL) QUATERNARY AMMONIUM COMPOUND". Paragraph 0064. . Retrieved 2014/07/08.