Ethyl 5-(2-ethoxyphenyl)-1,2-oxazole-3-carboxylate

Base Information

Chemical Name:Ethyl 5-(2-ethoxyphenyl)-1,2-oxazole-3-carboxylate
CAS No.:668971-91-3
Molecular Formula:C14H15NO4
Molecular Weight:261.277
Hs Code.:
DSSTox Substance ID:DTXSID20701704
Wikidata:Q82633465
Mol file:668971-91-3.mol

Synonyms:668971-91-3;Ethyl 5-(2-ethoxyphenyl)-1,2-oxazole-3-carboxylate;5-(2-ETHOXYPHENYL)-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER;SCHEMBL6818513;DTXSID20701704;ethyl 5-(2-ethoxyphenyl)isoxazole-3-carboxylate

Suppliers and Price of Ethyl 5-(2-ethoxyphenyl)-1,2-oxazole-3-carboxylate

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

American Custom Chemicals Corporation
5-(2-ETHOXYPHENYL)-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER 95.00%
5MG
$ 505.26

Total 1 raw suppliers

Chemical Property of Ethyl 5-(2-ethoxyphenyl)-1,2-oxazole-3-carboxylate

Chemical Property:

Boiling Point:390.2±32.0 °C(Predicted)
PKA:-6.21±0.38(Predicted)
PSA：61.56000
Density:1.157±0.06 g/cm3(Predicted)
LogP:2.91700
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:261.10010796
Heavy Atom Count:19
Complexity:297

Purity/Quality:: 5-(2-ETHOXYPHENYL)-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC1=CC=CC=C1C2=CC(=NO2)C(=O)OCC

Technology Process of Ethyl 5-(2-ethoxyphenyl)-1,2-oxazole-3-carboxylate

There total 4 articles about Ethyl 5-(2-ethoxyphenyl)-1,2-oxazole-3-carboxylate 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: 29.0%

: 1450606-64-0
ethyl 4-(2-ethoxyphenyl)-2-hydroxy-4-oxo-2-butenoate

: 668971-91-3
ethyl 5-(2-ethoxyphenyl)isoxazole-3-carboxylate

Guidance literature:: With hydroxylamine hydrochloride; In ethanol; for 2h; Reflux;
DOI:10.1016/j.bmc.2013.06.010

Reference yield: 25.0%

: 668971-91-3
ethyl 5-(2-ethoxyphenyl)isoxazole-3-carboxylate

Guidance literature:

Reference yield:

: 118-93-4,104809-67-8
o-hydroxyacetophenone

: 668971-91-3
ethyl 5-(2-ethoxyphenyl)isoxazole-3-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / Reflux

2: sodium ethanolate / ethanol / 2 h / 50 °C / Reflux

3: hydroxylamine hydrochloride / ethanol / 2 h / Reflux

With hydroxylamine hydrochloride; sodium ethanolate; potassium carbonate; In ethanol; N,N-dimethyl-formamide; 2: |Claisen Condensation;
DOI:10.1016/j.bmc.2013.06.010