((3-(3-(4-Acetyl-3-hydroxy-2-phenylpropylphenoxy)-2-hydroxypropoxy)-2-cyanophenyl)amino)oxoacetic acid ethyl ester

Base Information

Chemical Name:((3-(3-(4-Acetyl-3-hydroxy-2-phenylpropylphenoxy)-2-hydroxypropoxy)-2-cyanophenyl)amino)oxoacetic acid ethyl ester
CAS No.:91327-53-6
Molecular Formula:C25H28N2O8
Molecular Weight:484.506
Hs Code.:
DSSTox Substance ID:DTXSID70919817
ChEMBL ID:CHEMBL274975

Synonyms:((3-(3-(4-acetyl-3-hydroxy-2-phenylpropylphenoxy)-2-hydroxypropoxy)-2-cyanophenyl)amino)oxoacetic acid ethyl ester;Wy 44329;Wy-44329

Suppliers and Price of ((3-(3-(4-Acetyl-3-hydroxy-2-phenylpropylphenoxy)-2-hydroxypropoxy)-2-cyanophenyl)amino)oxoacetic acid ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of ((3-(3-(4-Acetyl-3-hydroxy-2-phenylpropylphenoxy)-2-hydroxypropoxy)-2-cyanophenyl)amino)oxoacetic acid ethyl ester

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.32g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:484.18456586
Heavy Atom Count:35
Complexity:766

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC(=C2C#N)NC(=O)C(=O)OCC)O

Technology Process of ((3-(3-(4-Acetyl-3-hydroxy-2-phenylpropylphenoxy)-2-hydroxypropoxy)-2-cyanophenyl)amino)oxoacetic acid ethyl ester

There total 5 articles about ((3-(3-(4-Acetyl-3-hydroxy-2-phenylpropylphenoxy)-2-hydroxypropoxy)-2-cyanophenyl)amino)oxoacetic acid 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: 62.0%

: 4755-77-5
Ethyl oxalyl chloride

: 91324-97-9
2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-6-aminobenzonitrile

: 91327-53-6
[[3-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanophenyl]amino]oxoacetic acid ethyl ester

Guidance literature:: With sodium hydrogencarbonate; In dichloromethane;

Reference yield:

: 57161-85-0
3-(2-n-Propyl-3-hydroxy-4-acetylphenoxy)-1,2-epoxypropane

: 91327-53-6
[[3-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanophenyl]amino]oxoacetic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: Triton B / dimethylformamide / 1.5 h / Heating

2: 66 percent / cyclohexene / 10percent Pd/C / ethanol / 0.5 h / Heating

3: 48 percent / CH₂Cl₂ / 1.) 0 deg C, 40 min, 2.) 25 deg C, 3 h

With N-benzyl-trimethylammonium hydroxide; cyclohexene; palladium on activated charcoal; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00157a004

Reference yield:

: 38469-85-1
2-methoxy-6-nitrobenzonitrile

: 91327-53-6
[[3-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanophenyl]amino]oxoacetic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent / pyridine hydrochloride / 0.33 h / 200 °C

2: Triton B / dimethylformamide / 1.5 h / Heating

3: 66 percent / cyclohexene / 10percent Pd/C / ethanol / 0.5 h / Heating

4: 48 percent / CH₂Cl₂ / 1.) 0 deg C, 40 min, 2.) 25 deg C, 3 h

With pyridine hydrochloride; N-benzyl-trimethylammonium hydroxide; cyclohexene; palladium on activated charcoal; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00157a004