Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

Base Information

Chemical Name:Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
CAS No.:83817-50-9
Molecular Formula:C13H12 Cl N O3
Molecular Weight:265.696
Hs Code.:2934999090
European Community (EC) Number:280-950-2
UNII:22MQU398E8
DSSTox Substance ID:DTXSID20232700
Nikkaji Number:J326.845D
Wikidata:Q83113792
Mol file:83817-50-9.mol

Synonyms:83817-50-9;Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate;ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate;EINECS 280-950-2;SCHEMBL2774527;DTXSID20232700;MFCD11976994;Ethyl3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate;3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester

Suppliers and Price of Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-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

Crysdot
Ethyl3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate 95+%
1g
$ 428.00

Total 3 raw suppliers

Chemical Property of Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

Chemical Property:

Vapor Pressure:4.15E-06mmHg at 25°C
Boiling Point:384.2°C at 760 mmHg
Flash Point:186.2°C
PSA：52.33000
Density:1.245g/cm³
LogP:3.48010
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:265.0505709
Heavy Atom Count:18
Complexity:300

Purity/Quality:: Ethyl3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C

Technology Process of Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

There total 5 articles about Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-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: 75.0%

: 54716-02-8
ethyl (E)-3-(1-pyrrolidino)-2-butenoate

: 29568-74-9
2-chloro-N-hydroxybenzimidoyl chloride

: 83817-50-9
ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

Guidance literature:: With triethylamine; In ethanol; at 20 ℃;
DOI:10.1021/jm020354w

Reference yield:

: 141-97-9
ethyl acetoacetate

: 29568-74-9
2-chloro-N-hydroxybenzimidoyl chloride

: 83817-50-9
ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

Guidance literature:: With sodium methylate; In methanol; at 20 ℃;
DOI:10.1016/j.bmcl.2004.11.075

Reference yield:

: 3717-28-0
2-chloro benzaldehyde oxime

: 83817-50-9
ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: N-chloro-succinimide / N,N-dimethyl-formamide / 20 °C

2: triethylamine / ethanol; N,N-dimethyl-formamide / 16 h / 20 °C

With N-chloro-succinimide; triethylamine; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/j.tetlet.2011.05.104