Ethyl (+-)-2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methylbutanoate

Base Information

• Chemical Name: Ethyl (+-)-2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methylbutanoate
• CAS No.: 71549-01-4
• Molecular Formula: C₂₁H₂₅ClO₃
• Molecular Weight: 360.881
• DSSTox Substance ID: DTXSID20992079
• Mol file: 71549-01-4.mol

Synonyms:Sgd 303-75;BRN 3002429;71549-01-4;Ethyl (+-)-2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methylbutanoate;Butanoic acid, 2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methyl-, ethyl ester, (+-)-;SCHEMBL11074765;DTXSID20992079;LS-46176;ETHYL 2-{4-[(4-CHLOROPHENYL)METHYL]-3-METHYLPHENOXY}-2-METHYLBUTANOATE

Chemical Property of Ethyl (+-)-2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methylbutanoate

Chemical Property:

• Vapor Pressure: 1.69E-08mmHg at 25°C
• Boiling Point: 455.9°C at 760 mmHg
• Flash Point: 153.1°C
• PSA: 35.53000
• Density: 1.115g/cm³
• LogP: 5.34980
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 360.1492223
• Heavy Atom Count: 25
• Complexity: 419

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl (+-)-2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methylbutanoate

There total 2 articles about Ethyl (+-)-2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methylbutanoate 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:

ethanol (64-17-5) + chloroform (67-66-3,8013-54-5) + 4-(4-Chloro-benzyl)-3-methyl-phenol + butanone (78-93-3) → Ethyl 2-methyl-2-[p-(p'-chlorobenzyl)phenoxy-m-methyl]butyrate (94740-31-5,71549-01-4)

Guidance literature:

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

Reference yield:

→ Ethyl 2-methyl-2-[p-(p'-chlorobenzyl)phenoxy-m-methyl]butyrate (94740-31-5,71549-01-4)

Guidance literature:

upstream raw materials:

ethanol

chloroform

butanone

Refernces

• 1、 Thiele,Ahmed,Jahn,Adrian. "Beclobrate and eniclobrate hydrochloride, new diphenylmethane derivatives as agents for lowering cholesterol and triglyceride levels. Part I: Synthesis and consideration of structure-activity relationships (author's transl)". . p. 711 - 720. Retrieved 2007/10/05.