Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methylpropanoate

Base Information

• Chemical Name: Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methylpropanoate
• CAS No.: 52890-74-1
• Molecular Formula: C19H21ClO3
• Molecular Weight: 332.8212
• DSSTox Substance ID: DTXSID30200930
• Wikidata: Q83074117
• Mol file: 52890-74-1.mol

Synonyms:Sgd 86-74;BRN 2061244;Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methylpropanoate;2-(4-(4'-Chlorobenzyl)phenoxy)-2-methylpropionic acid ethyl ester;Propanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, ethyl ester;52890-74-1;SCHEMBL11074943;DTXSID30200930;LS-121312

Chemical Property of Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methylpropanoate

Chemical Property:

• Vapor Pressure: 2.08E-07mmHg at 25°C
• Boiling Point: 424.4°C at 760 mmHg
• Flash Point: 148.8°C
• Density: 1.144g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 332.1179222
• Heavy Atom Count: 23
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

Technology Process of Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methylpropanoate

There total 3 articles about Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methylpropanoate 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: 74.0%

2-(4-bromophenoxy)-2-methylpropanoic acid ethyl ester (59227-80-4) + (4-chlorobenzyl)trifluoro-λ4-borane potassium salt → 2-[4-(4-Chloro-benzyl)-phenoxy]-2-methyl-propionic acid ethyl ester (52890-74-1)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); lithium perchlorate; potassium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; In N,N-dimethyl-formamide; at 20 ℃; Electrochemical reaction; Inert atmosphere; Glovebox;

DOI:10.1002/anie.202014244

Reference yield:

ethanol (64-17-5) + chloroform (67-66-3,8013-54-5) + 4-(4-chloro-benzyl)-phenol (52890-73-0) + acetone (67-64-1) → 2-[4-(4-Chloro-benzyl)-phenoxy]-2-methyl-propionic acid ethyl ester (52890-74-1)

Guidance literature:

Multistep reaction; (i) KOH, (ii) /BRN= 1731042/, (iii) /BRN= 1718733/, H₂SO₄, benzene;

Reference yield:

→ 2-[4-(4-Chloro-benzyl)-phenoxy]-2-methyl-propionic acid ethyl ester (52890-74-1)

Guidance literature:

d. Carbonsaeure, C2H5OH, TsOH, Δ;

upstream raw materials:

ethanol

chloroform

4-(4-chloro-benzyl)-phenol

acetone

Downstream raw materials:

2-[4-(4-Chloro-benzyl)-phenoxy]-2-methyl-propionic acid

2-[4-(4-Chloro-benzyl)-phenoxy]-2-methyl-propionic acid 2-(benzyl-methyl-amino)-ethyl ester

2-[4-(4-Chloro-benzyl)-phenoxy]-2-methyl-propionic acid cyclopentyl ester

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