(+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylvalerate

Base Information

• Chemical Name: (+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylvalerate
• CAS No.: 71548-64-6
• Molecular Formula: C21H25ClO3
• Molecular Weight: 360.8744
• DSSTox Substance ID: DTXSID20992054
• Nikkaji Number: J96.691F

Synonyms:BRN 2008772;Sgd 334-74;(+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylvalerate;(+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylvaleric acid ethyl ester;Valeric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-;71548-64-6;SCHEMBL11063131;DTXSID20992054;SGD-334-74;LS-161066;Ethyl 2-{4-[(4-chlorophenyl)methyl]phenoxy}-2-methylpentanoate

Chemical Property of (+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylvalerate

Chemical Property:

• Vapor Pressure: 2.63E-08mmHg at 25°C
• Boiling Point: 450.5°Cat760mmHg
• Flash Point: 150.4°C
• Density: 1.114g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 360.1492223
• Heavy Atom Count: 25
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylvalerate

There total 3 articles about (+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylvalerate 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:

2-bromo-2-methyl-2-propyl acetic acid ethyl ester (57081-65-9) + 4-(4-chloro-benzyl)-phenol (52890-73-0) + potassium carbonate (584-08-7) → 2-methyl-2-[4-(4'-chlorobenzyl)-phenoxy]-valeric acid ethyl ester (57081-64-8,71548-64-6)

Guidance literature:

In mesitylene-(1,3,5-trimethylbenzene); 1,3,5-trimethyl-benzene;

Reference yield:

ethanol (64-17-5) + chloroform (67-66-3,8013-54-5) + 4-(4-chloro-benzyl)-phenol (52890-73-0) + 2-Pentanone (107-87-9) → 2-methyl-2-[4-(4'-chlorobenzyl)-phenoxy]-valeric acid ethyl ester (57081-64-8,71548-64-6)

Guidance literature:

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

Reference yield:

→ 2-methyl-2-[4-(4'-chlorobenzyl)-phenoxy]-valeric acid ethyl ester (57081-64-8,71548-64-6)

Guidance literature:

4-Chlor-4'-hydroxy-diphenylmethan, 2-Brom-2-methyl-valeriansaeure-ethylester;

upstream raw materials:

ethanol

chloroform

4-(4-chloro-benzyl)-phenol

2-Pentanone

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