Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester

Base Information

• Chemical Name: Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester
• CAS No.: 71548-66-8
• Molecular Formula: C21H25ClO3
• Molecular Weight: 360.8744
• DSSTox Substance ID: DTXSID90221787
• Wikidata: Q83099757

Synonyms:BRN 2009806;Sgd 75-75;Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester;Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethylbutanoate;71548-66-8;DTXSID90221787;LS-46178

Chemical Property of Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 2.63E-08mmHg at 25°C
• Boiling Point: 450.5°Cat760mmHg
• Flash Point: 150.4°C
• PSA: 35.53000
• Density: 1.114g/cm³
• LogP: 5.43150
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 360.1492223
• Heavy Atom Count: 25
• Complexity: 392

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester

There total 2 articles about Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester 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)-phenol (52890-73-0) + pentan-3-one (96-22-0) → 2-[4-(4-Chloro-benzyl)-phenoxy]-2-ethyl-butyric acid ethyl ester (71548-66-8)

Guidance literature:

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

Reference yield:

→ 2-[4-(4-Chloro-benzyl)-phenoxy]-2-ethyl-butyric acid ethyl ester (71548-66-8)

Guidance literature:

4'-Chlor-4-hydroxy-diphenylmethan, entspr. α-Halogencarbonsaeureester;

upstream raw materials:

ethanol

chloroform

4-(4-chloro-benzyl)-phenol

pentan-3-one

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