3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester

Modify Date: 2024-01-14 17:49:51

3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester Structure
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester structure
Common Name 3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester
CAS Number 954230-39-8 Molecular Weight 249.23800
Density 1.212g/cm3 Boiling Point 370.5ºC at 760 mmHg
Molecular Formula C13H12FNO3 Melting Point N/A
MSDS USA Flash Point 177.9ºC

 Names

Name Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.212g/cm3
Boiling Point 370.5ºC at 760 mmHg
Molecular Formula C13H12FNO3
Molecular Weight 249.23800
Flash Point 177.9ºC
Exact Mass 249.08000
PSA 52.33000
LogP 2.96580
Index of Refraction 1.519

 Safety Information

Hazard Codes Xi
HS Code 2934999090

 Synthetic Route

~96%

3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester Structure

3-(4-Fluorophen...

CAS#:954230-39-8

Literature: Hoffmann-La Roche Inc.; Dott, Pascal; Grassmann, Olaf; Kammerer, Michael; Manns, Joachim; Schwitter, Urs; Thomas, Andrew; Wyttenbach, Nicole Patent: US2013/172329 A1, 2013 ; Location in patent: Paragraph 0257 ;

~45%

3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester Structure

3-(4-Fluorophen...

CAS#:954230-39-8

Literature: F. HOFFMANN-LA ROCHE AG; DOTT, Pascal; GRASSMANN, Olaf; KAMMERER, Michael; MANNS, Joachim; SCHWITTER, Urs; THOMAS, Andrew; WYTTENBACH, Nicole Patent: WO2013/57124 A1, 2013 ; Location in patent: Page/Page column 33 ;

~%

3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester Structure

3-(4-Fluorophen...

CAS#:954230-39-8

Literature: F. HOFFMANN-LA ROCHE AG; DOTT, Pascal; GRASSMANN, Olaf; KAMMERER, Michael; MANNS, Joachim; SCHWITTER, Urs; THOMAS, Andrew; WYTTENBACH, Nicole Patent: WO2013/57124 A1, 2013 ; Location in patent: Page/Page column 36 ;

~43%

3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester Structure

3-(4-Fluorophen...

CAS#:954230-39-8

Literature: Buettelmann, Bernd; Jakob-Roetne, Roland; Knust, Henner; Thomas, Andrew Patent: US2009/143385 A1, 2009 ;

~%

3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester Structure

3-(4-Fluorophen...

CAS#:954230-39-8

Literature: US2013/102778 A1, ;

~%

3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester Structure

3-(4-Fluorophen...

CAS#:954230-39-8

Literature: WO2013/57124 A1, ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
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