Ethyl 2-(4-ethylphenyl)-2-hydroxyacetate

Base Information

• Chemical Name: Ethyl 2-(4-ethylphenyl)-2-hydroxyacetate
• CAS No.: 77062-85-2
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID601285625
• Nikkaji Number: J2.663.038J
• Mol file: 77062-85-2.mol

Synonyms:77062-85-2;DTXSID601285625;AKOS011496903;Ethyl 4-ethyl-alpha-hydroxybenzeneacetate

Chemical Property of Ethyl 2-(4-ethylphenyl)-2-hydroxyacetate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(C(=O)OCC)O

Technology Process of Ethyl 2-(4-ethylphenyl)-2-hydroxyacetate

There total 5 articles about Ethyl 2-(4-ethylphenyl)-2-hydroxyacetate 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: 83.0%

glyoxylic acid ethyl ester (924-44-7) + 4-ethylphenylboronic acid (63139-21-9) → ethyl 2-(4-ethylphenyl)-2-hydroxyacetate (77062-85-2)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; caesium carbonate; johnphos; In toluene; at 80 ℃; for 9h; Inert atmosphere;

DOI:10.1002/ejoc.200800881

Reference yield: 70.0%

ethyl 2-(4-ethylphenyl)-2-oxoacetate (62936-36-1) → ethyl 2-(4-ethylphenyl)-2-hydroxyacetate (77062-85-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00137a002

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → ethyl 2-(4-ethylphenyl)-2-hydroxyacetate (77062-85-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 38 percent / AlCl₃ / nitrobenzene

2: 70 percent / H₂ / 10percent Pd/C / ethanol

With aluminium trichloride; hydrogen; palladium on activated charcoal; In ethanol; nitrobenzene;

DOI:10.1021/jm00137a002

upstream raw materials:

ethyl 2-(4-ethylphenyl)-2-oxoacetate

ethanol

4-ethylbenzylaldehyde

ethylbenzene

Downstream raw materials:

(4-ethyl-phenyl)-acetic acid

Brom-(4-ethyl-phenyl)-essigsaeure-ethylester

ethyl 2-(4-ethylphenyl)-2-fluoroacetate

ethyl 2-chloro-2-(4-ethylphenyl)acetate