Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-

Modify Date: 2024-01-09 10:48:35

Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- Structure
Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- structure
Common Name Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-
CAS Number 830346-47-9 Molecular Weight 302.22400
Density 1.413g/cm3 Boiling Point N/A
Molecular Formula C13H10F4N2O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.413g/cm3
Molecular Formula C13H10F4N2O2
Molecular Weight 302.22400
Exact Mass 302.06800
PSA 55.12000
LogP 2.46350
Index of Refraction 1.511

 Safety Information

HS Code 2933599090

 Synthetic Route

~80%

Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- Structure

Benzeneacetic a...

CAS#:830346-47-9

Literature: Chen, Chen; Wu, Dongpei; Guo, Zhiqiang; Xie, Qiu; Reinhart, Greg J.; Madan, Ajay; Wen, Jenny; Chen, Takung; Huang, Charles Q.; Chen, Mi; Chen, Yongsheng; Tucci, Fabio C.; Rowbottom, Martin; Pontillo, Joseph; Zhu, Yun-Fei; Wade, Warren; Saunders, John; Bozigian, Haig; Struthers, R. Scott Journal of Medicinal Chemistry, 2008 , vol. 51, # 23 p. 7478 - 7485

~61%

Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- Structure

Benzeneacetic a...

CAS#:830346-47-9

Literature: NEUROCRINE BIOSCIENCES, INC. Patent: WO2009/62087 A1, 2009 ; Location in patent: Page/Page column 8 ; WO 2009/062087 A1

~%

Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- Structure

Benzeneacetic a...

CAS#:830346-47-9

Literature: NEUROCRINE BIOSCIENCES, INC. Patent: WO2005/7633 A1, 2005 ; Location in patent: Page 38 ; WO 2005/007633 A1

~%

Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- Structure

Benzeneacetic a...

CAS#:830346-47-9

Literature: NEUROCRINE BIOSCIENCES, INC. Patent: WO2005/113516 A1, 2005 ; Location in patent: Page/Page column 21-22 ; WO 2005/113516 A1

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

MFCD12546645
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