Ethyl 4-(4-fluorophenyl)-3-oxobutanoate

Modify Date: 2024-01-08 17:17:15

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure
Ethyl 4-(4-fluorophenyl)-3-oxobutanoate structure
Common Name Ethyl 4-(4-fluorophenyl)-3-oxobutanoate
CAS Number 221121-37-5 Molecular Weight 224.228
Density 1.2±0.1 g/cm3 Boiling Point 295.5±20.0 °C at 760 mmHg
Molecular Formula C12H13FO3 Melting Point N/A
MSDS N/A Flash Point 128.4±16.7 °C

 Names

Name ethyl 4-(4-fluorophenyl)-3-oxobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 295.5±20.0 °C at 760 mmHg
Molecular Formula C12H13FO3
Molecular Weight 224.228
Flash Point 128.4±16.7 °C
Exact Mass 224.084869
PSA 43.37000
LogP 2.50
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.493

 Safety Information

Hazard Codes Xn
HS Code 2918300090

 Synthetic Route

~89%

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure

Ethyl 4-(4-fluo...

CAS#:221121-37-5

Literature: DECIPHERA PHARMACEUTICALS, LLC; FLYNN, Daniel, L.; KAUFMAN, Michael, D. Patent: WO2011/139891 A1, 2011 ; Location in patent: Page/Page column 60 ; WO 2011/139891 A1

~87%

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure

Ethyl 4-(4-fluo...

CAS#:221121-37-5

Literature: Terai, Takuya; Kikuchi, Kazuya; Iwasawa, Shin-Ya; Kawabe, Takao; Hirata, Yasunobu; Urano, Yasuteru; Nagano, Tetsuo Journal of the American Chemical Society, 2006 , vol. 128, # 21 p. 6938 - 6946

~98%

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure

Ethyl 4-(4-fluo...

CAS#:221121-37-5

Literature: Rao, D. Chandra; Reddy, D. Kumar; Shekhar; Chinababu; Rao, Ch. Bhujanga; Venkateswarlu Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014 , vol. 53, # 3 p. 356 - 358

~%

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure

Ethyl 4-(4-fluo...

CAS#:221121-37-5

Literature: Journal of the American Chemical Society, , vol. 128, # 21 p. 6938 - 6946

~%

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure

Ethyl 4-(4-fluo...

CAS#:221121-37-5

Literature: Kyoung, Soon Kim; Zhang, Liping; Schmidt, Robert; Cai, Zhen-Wei; Wei, Donna; Williams, David K.; Lombardo, Louis J.; Trainor, George L.; Xie, Dianlin; Zhang, Yaquan; An, Yongmi; Sack, John S.; Tokarski, John S.; Darienzo, Celia; Kamath, Amrita; Marathe, Punit; Zhang, Yueping; Lippy, Jonathan; Jeyaseelan Sr., Robert; Wautlet, Barri; Henley, Benjamin; Gullo-Brown, Johnni; Manne, Veeraswamy; Hunt, John T.; Fargnoli, Joseph; Borzilleri, Robert M. Journal of Medicinal Chemistry, 2008 , vol. 51, # 17 p. 5330 - 5341

~%

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure

Ethyl 4-(4-fluo...

CAS#:221121-37-5

Literature: Journal of Medicinal Chemistry, , vol. 56, # 9 p. 3593 - 3608

~%

Ethyl 4-(4-fluorophenyl)-3-oxobutanoate Structure

Ethyl 4-(4-fluo...

CAS#:221121-37-5

Literature: Journal of Medicinal Chemistry, , vol. 42, # 4 p. 619 - 627

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

Benzenebutanoic acid, 4-fluoro-β-oxo-, ethyl ester
Benzenebutanoic acid,4-fluoro-b-oxo-,ethyl ester
Ethyl 4-(4-fluorophenyl)-3-oxobutanoate
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