2-(4-(tert-Butyl)phenoxy)-N,N-dimethylethanamine

Base Information

• Chemical Name: 2-(4-(tert-Butyl)phenoxy)-N,N-dimethylethanamine
• CAS No.: 73675-45-3
• Molecular Formula: C₁₄H₂₃NO
• Molecular Weight: 221.343
• DSSTox Substance ID: DTXSID50223929
• Nikkaji Number: J358.956K
• Wikidata: Q83102432
• Mol file: 73675-45-3.mol

Synonyms:4-tert-butylphenoxyethyl-N,N-dimethylamine;N,N-DBPE;N,N-dimethyl-2-(4-tert-butylphenoxy)ethylamine;N,N-dimethyl-2-(4-tert-butylphenoxy)ethylamine hydrochloride

Chemical Property of 2-(4-(tert-Butyl)phenoxy)-N,N-dimethylethanamine

Chemical Property:

• PSA: 12.47000
• LogP: 2.92450
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 221.177964357
• Heavy Atom Count: 16
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

2-(4-(tert-Butyl)phenoxy)-N,N-dimethylethanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-(tert-Butyl)phenoxy)-N,N-dimethylethanamine

There total 3 articles about 2-(4-(tert-Butyl)phenoxy)-N,N-dimethylethanamine 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: 90.0%

sodium 4-tert-butylphenolate (5787-50-8) + 2-(dimethylamino)ethyl chloride (107-99-3) → N,N-dimethyl-2-<4-ter-butylphenoxy>-ethylamine (73675-45-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 100 ℃; for 4h;

DOI:10.1016/S0040-4020(01)80336-7

Reference yield: 45.6%

2-(N,N-dimethylamino)ethyl bromide (5459-68-7) + para-tert-butylphenol (98-54-4) → N,N-dimethyl-2-<4-ter-butylphenoxy>-ethylamine (73675-45-3)

Guidance literature:

para-tert-butylphenol; With sodium hydride; In N,N-dimethyl-formamide; for 0.5h; Inert atmosphere;

2-(N,N-dimethylamino)ethyl bromide; In N,N-dimethyl-formamide; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.ejmech.2013.08.030

Reference yield:

para-tert-butylphenol (98-54-4) + (2-chloroethyl)dimethylamine hydrochloride (4584-46-7) → N,N-dimethyl-2-<4-ter-butylphenoxy>-ethylamine (73675-45-3)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, oil, room temp.; 2.) 100 deg C, 1 h;

DOI:10.1016/0031-9422(80)85013-8

upstream raw materials:

para-tert-butylphenol

(2-chloroethyl)dimethylamine hydrochloride

sodium 4-tert-butylphenolate

2-(dimethylamino)ethyl chloride

Refernces

• 1、 -. "3-3-DI-SUBSTITUTED-OXINDOLES AS INHIBITORS OF TRANSLATION INITIATION". Page/Page column 61. . Retrieved 2014/04/04.
• 2、 Becker,Haddad. "Steric effects in intramolecular [2+2] photocycloaddition of C=C double bonds to cyclohexenones". . p. 947 - 964. Retrieved 2007/10/02.