ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97

Modify Date: 2024-01-21 21:30:41

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure
ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 structure
Common Name ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97
CAS Number 217195-91-0 Molecular Weight 226.193
Density 1.2±0.1 g/cm3 Boiling Point 243.1±35.0 °C at 760 mmHg
Molecular Formula C9H13F3O3 Melting Point N/A
MSDS N/A Flash Point 100.8±25.9 °C

 Names

Name ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 243.1±35.0 °C at 760 mmHg
Molecular Formula C9H13F3O3
Molecular Weight 226.193
Flash Point 100.8±25.9 °C
Exact Mass 226.081680
PSA 46.53000
LogP 3.32
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.411

 Safety Information

HS Code 2918199090

 Synthetic Route

~73%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: Intendis GmbH Patent: EP1982976 A1, 2008 ; Location in patent: Page/Page column 8 ;

~60%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. Patent: WO2005/30213 A1, 2005 ; Location in patent: Page/Page column 195-196 ; WO 2005/030213 A1

~53%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. Patent: WO2003/82787 A1, 2003 ; Location in patent: Page/Page column 106 ; WO 03/082787 A1

~%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: WO2007/122165 A1, ; Page/Page column 59-61 ;

~%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: EP2098501 A1, ; Page/Page column 18-19; 29-30 ;

~88%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: SCHERING AKTIENGESELLSCHAFT Patent: WO2006/50998 A1, 2006 ; Location in patent: Page/Page column 34-35 ;

~50%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US2004/10148 A1, 2004 ; US 20040010148 A1

~61%

ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97 Structure

ethyl 2-hydroxy...

CAS#:217195-91-0

Literature: Riether, Doris; Harcken, Christian; Razavi, Hossein; Kuzmich, Daniel; Gilmore, Thomas; Bentzien, Joerg; Pack, Edward J.; Souza, Donald; Nelson, Richard M.; Kukulka, Alison; Fadra, Tazmeen N.; Zuvela-Jelaska, Ljiljana; Pelletier, Josephine; Dinallo, Roger; Panzenbeck, Mark; Torcellini, Carol; Nabozny, Gerald H.; Thomson, David S. Journal of Medicinal Chemistry, 2010 , vol. 53, # 18 p. 6681 - 6698

 Customs

HS Code 2918199090
Summary 2918199090 other carboxylic acids with alcohol 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

Ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
4-Pentenoic acid, 2-hydroxy-4-methyl-2-(trifluoromethyl)-, ethyl ester
2-hydroxy-4-methyl-2-trifluoromethylpent-4-enoic acid ethyl ester
Ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)-4-pentenoate