Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate

Base Information

Chemical Name:Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate
CAS No.:78868-53-8
Molecular Formula:C₁₉H₁₆FNO₃
Molecular Weight:325.339
Hs Code.:
DSSTox Substance ID:DTXSID401000104

Synonyms:BRN 4538599;78868-53-8;Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate;Benzeneacetic acid, 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methyl-, methyl ester;C19H16FNO3;DTXSID401000104;C19-H16-F-N-O3;LS-28812;METHYL 2-{4-[5-(4-FLUOROPHENYL)-1,2-OXAZOL-3-YL]PHENYL}PROPANOATE

Suppliers and Price of Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate

Chemical Property:

Vapor Pressure:1.23E-08mmHg at 25°C
Boiling Point:459.8°C at 760 mmHg
Flash Point:231.9°C
Density:1.203g/cm³
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:325.11142153
Heavy Atom Count:24
Complexity:417

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)F)C(=O)OC

Technology Process of Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate

There total 5 articles about Methyl 4-(5-(4-fluorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetate 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: 63.0%

: 67-56-1
methanol

: 78868-45-8
2-{4-[5-(4-Fluoro-phenyl)-isoxazol-3-yl]-phenyl}-propionic acid

: 78868-53-8
2-{4-[5-(4-Fluoro-phenyl)-isoxazol-3-yl]-phenyl}-propionic acid methyl ester

Guidance literature:: With sulfuric acid;

Reference yield:

: 41387-29-5
2-[4-(acetyl)phenyl] propanoic acid

: 78868-53-8
2-{4-[5-(4-Fluoro-phenyl)-isoxazol-3-yl]-phenyl}-propionic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 50 percent / 40percent aq. NaOH / ethanol

2: 72 percent / bromine / diethyl ether

3: 45 percent / NH₂OH*HCl, 40percent aq. NaOH / methanol

4: 63 percent / conc. H₂SO₄

With sodium hydroxide; sulfuric acid; hydroxylamine hydrochloride; bromine; In methanol; diethyl ether; ethanol;

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 78868-53-8
2-{4-[5-(4-Fluoro-phenyl)-isoxazol-3-yl]-phenyl}-propionic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 50 percent / 40percent aq. NaOH / ethanol

2: 72 percent / bromine / diethyl ether

3: 45 percent / NH₂OH*HCl, 40percent aq. NaOH / methanol

4: 63 percent / conc. H₂SO₄

With sodium hydroxide; sulfuric acid; hydroxylamine hydrochloride; bromine; In methanol; diethyl ether; ethanol;