[1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester

Modify Date: 2024-01-14 11:48:02

[1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester Structure
[1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester structure
Common Name [1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester
CAS Number 54142-64-2 Molecular Weight 550.522
Density 1.4±0.1 g/cm3 Boiling Point 699.7±55.0 °C at 760 mmHg
Molecular Formula C31H25F3O6 Melting Point 128-129ºC
MSDS N/A Flash Point 362.7±26.4 °C

 Names

Name [(3aR,4R,5R,6aS)-2-oxo-4-[3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 699.7±55.0 °C at 760 mmHg
Melting Point 128-129ºC
Molecular Formula C31H25F3O6
Molecular Weight 550.522
Flash Point 362.7±26.4 °C
Exact Mass 550.160339
PSA 78.90000
LogP 5.53
Vapour Pressure 0.0±2.2 mmHg at 25°C
Index of Refraction 1.604

 Synthetic Route

~70%

[1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester Structure

[1,1'-Biphenyl]...

CAS#:54142-64-2

Literature: LUPIN LIMITED; KAMMILI, Venkata, Rambabu; SMART, Anurag, Anil; SIYAN, Rajinder, Singh; BHISE, Nandu, Baban; SINGH, Girij, Pal Patent: WO2013/164729 A1, 2013 ; Location in patent: Page/Page column 27 ;

~%

[1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester Structure

[1,1'-Biphenyl]...

CAS#:54142-64-2

Literature: CAYMAN CHEMICAL COMPANY; CHAMBOURNIER, Gilles; KORNILOV, Andriy; MAHMOUD, Hussein, M.; VESELY, Ivan; BARRETT, Stephen, Douglas Patent: WO2011/46569 A1, 2011 ;

~%

[1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester Structure

[1,1'-Biphenyl]...

CAS#:54142-64-2

Literature: CAYMAN CHEMICAL COMPANY; CHAMBOURNIER, Gilles; KORNILOV, Andriy; MAHMOUD, Hussein, M.; VESELY, Ivan; BARRETT, Stephen, Douglas Patent: WO2011/46569 A1, 2011 ;

~%

[1,1'-Biphenyl]-4-carboxylic acid(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylester Structure

[1,1'-Biphenyl]...

CAS#:54142-64-2

Literature: CAYMAN CHEMICAL COMPANY; CHAMBOURNIER, Gilles; KORNILOV, Andriy; MAHMOUD, Hussein, M.; VESELY, Ivan; BARRETT, Stephen, Douglas Patent: WO2011/46569 A1, 2011 ;

 Synonyms

(3ar,4as,8ar,9ar)-8a-methyl-3,5-dimethylene-decahydro-naphtho[2,3-b]furan-2-one
(3aR,4aS,8aR,9aR)-decahydro-8a-methyl-3,5-dimethylidenenaphtho[2,3-b]furan-2(3H)-one
(3aR,4R,5R,6aS)-2-Oxo-4-{(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}hexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate
ISOALANTOLACTONE (RG)
(3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
ISOHELENIN
ISOALANTOACTONE
[1,1'-biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester
Naphtho[2,3-b]furan-2(3H)-one,decahydro-8a
methyl-3,5-bis(methylene)-,(3aR,4aS,8aR,9aR)
(3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)hexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate
[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester
isolantolactone