Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

Base Information

Chemical Name:Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
CAS No.:83817-51-0
Molecular Formula:C13H11 Cl F N O3
Molecular Weight:283.687
Hs Code.:2934999090
European Community (EC) Number:280-951-8
UNII:PU8C3H9KIY
DSSTox Substance ID:DTXSID80232701
Nikkaji Number:J326.846B
Wikidata:Q83113793
Mol file:83817-51-0.mol

Synonyms:83817-51-0;Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate;ethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate;PU8C3H9KIY;EINECS 280-951-8;4-Isoxazolecarboxylicacid, 3-(2-chloro-6-fluorophenyl)-5-methyl-, ethyl ester;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid Ethyl Ester;UNII-PU8C3H9KIY;C13H11ClFNO3;SCHEMBL2775568;DTXSID80232701;PPLHLTAXAFQXGE-UHFFFAOYSA-N;C13-H11-Cl-F-N-O3;AKOS030255090;Ethyl3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate;3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester;4-ISOXAZOLECARBOXYLIC ACID, 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-, ETHYL ESTER

Suppliers and Price of Ethyl 3-(2-chloro-6-fluorophenyl)-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

TRC
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylicAcidEthylEster
100mg
$ 315.00

Total 6 raw suppliers

Chemical Property of Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

Chemical Property:

Vapor Pressure:9.33E-06mmHg at 25°C
Boiling Point:372.9°C at 760 mmHg
Flash Point:179.3°C
PSA：52.33000
Density:1.303g/cm³
LogP:3.61920
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:283.0411491
Heavy Atom Count:19
Complexity:331

Purity/Quality:

99%, ^*data from raw suppliers

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylicAcidEthylEster ^*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=C(C=CC=C2Cl)F)C
Uses 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid Ethyl Ester is a derivative in the synthesis of Flucloxacillin (F419200), a new semisynthetic penicillin with broad spectrum of antibacterial activity.

Technology Process of Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

There total 6 articles about Ethyl 3-(2-chloro-6-fluorophenyl)-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: 80.0%

: 70526-06-6
(Z)-3-pyrrolidin-1-yl-but-2-enoic acid ethyl ester

: (Z)-2-chloro-6-fluoro-N-hydroxybenzimidoyl chloride

: 83817-51-0
ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

Guidance literature:: (Z)-3-pyrrolidin-1-yl-but-2-enoic acid ethyl ester; (Z)-2-chloro-6-fluoro-N-hydroxybenzimidoyl chloride; In ethanol; N,N-dimethyl-formamide; at 0 - 25 ℃; for 1h;

With triethylamine; In ethanol; N,N-dimethyl-formamide; at 25 ℃; for 26h;

Reference yield: 67.0%

: 51088-25-6
2-chloro-6-fluoro-N-hydroxybenzene-1-carbonimidoyl chloride

: 1007476-32-5
sodium ethyl acetylacetate enolate

: 83817-51-0
ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

Guidance literature:: In diethyl ether; ethanol; at 0 - 20 ℃;

Reference yield:

: 387-45-1
2-chloro-6-fluorobenzaldehyde

: 83817-51-0
ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 1 h / Cooling with ice

2: N-chloro-succinimide; hydrogenchloride / N,N-dimethyl-formamide / 20 - 45 °C

3: diethyl ether / 0 - 20 °C

With hydrogenchloride; N-chloro-succinimide; hydroxylamine hydrochloride; sodium hydroxide; In diethyl ether; ethanol; water; N,N-dimethyl-formamide;