Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Modify Date: 2025-08-25 21:43:38

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate Structure
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate structure
Common Name Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
CAS Number 769195-26-8 Molecular Weight 246.183
Density 1.3±0.1 g/cm3 Boiling Point 273.3±35.0 °C at 760 mmHg
Molecular Formula C11H9F3O3 Melting Point N/A
MSDS N/A Flash Point 115.5±20.8 °C

 Names

Name Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 273.3±35.0 °C at 760 mmHg
Molecular Formula C11H9F3O3
Molecular Weight 246.183
Flash Point 115.5±20.8 °C
Exact Mass 246.050385
PSA 43.37000
LogP 2.09
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.469
InChIKey XDQLWVSUKUDAEO-UHFFFAOYSA-N
SMILES COC(=O)CC(=O)Cc1cc(F)c(F)cc1F
Storage condition 2-8°C

 Safety Information

Hazard Codes Xi
HS Code 2918300090

 Synthetic Route

~84%

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate Structure

Methyl 3-oxo-4-...

CAS#:769195-26-8

Literature: Kubryk, Michele; Hansen, Karl B. Tetrahedron Asymmetry, 2006 , vol. 17, # 2 p. 205 - 209

~85%

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate Structure

Methyl 3-oxo-4-...

CAS#:769195-26-8

Literature: GENERICS [UK] LIMITED; MYLAN INDIA PRIVATE LIMITED; GORE, Vinayak Govind; GADAKAR, Maheshkumar; BHOSLE, Priyanka; SHINDE, Suresh Patent: WO2010/131025 A1, 2010 ; Location in patent: Page/Page column 26 ;

~%

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate Structure

Methyl 3-oxo-4-...

CAS#:769195-26-8

Literature: WO2010/122578 A2, ; Page/Page column 65 ;

~88%

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate Structure

Methyl 3-oxo-4-...

CAS#:769195-26-8

Literature: Ahn, Jin Hee; Shin, Mi Sik; Jun, Mi Ae; Jung, Sun Ho; Kang, Seung Kyu; Kim, Kwang Rok; Rhee, Sang Dal; Kang, Nam Sook; Kim, Sun Young; Sohn, Sang-Kwon; Kim, Sung Gyu; Jin, Mi Sun; Lee, Jie Oh; Cheon, Hyae Gyeong; Kim, Sung Soo Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 9 p. 2622 - 2628

~%

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate Structure

Methyl 3-oxo-4-...

CAS#:769195-26-8

Literature: WO2010/122578 A2, ; Page/Page column 44 ;

~%

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate Structure

Methyl 3-oxo-4-...

CAS#:769195-26-8

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 9 p. 2622 - 2628

 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, 2,4,5-trifluoro-β-oxo-, methyl ester
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
3-OXO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID METHYL ESTER
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