Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate

Basic Information

View in Editor

CAS Number

209860-87-7

Molecular Formula

C25H34F2O5

Molecular Weight

452.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC=C2)(F)F)O)O

InChI

InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1

InChIKey

WSNODXPBBALQOF-VEJSHDCNSA-N

LogP

4.683000000000004

Topological Polar Surface Area

75.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

614

Synonyms & References

English

SR-01000946707-1
AS-75193
Zioptan (TN)
TAFLUPROST [MI]
1-methylethyl (5Z)-7-((1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxybut-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoate
SR-01000946707
EN300-21680961
UNII-1O6WQ6T7G3
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxybut-1-enyl)-3,5-dihydroxycyclopentyl}hept-5-enoate
DTXSID401021504
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-(phenoxy)but-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
tafluprost opthalmic
HY-B0600
EX-A564
MK2452
Tafluprost [USAN:INN:BAN]
TAFLUPROST [USAN]
TAFLUPROST [VANDF]
209860-87-7
Tapros
TAFLUPROST [MART.]
TAFLUPROST [ORANGE BOOK]
1O6WQ6T7G3
S01EE05
J-502635
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
GTPL7451
AFP-168
(Z)-isopropyl7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
tafluprostum

MDL Number

MFCD08062150

FAQ

What is Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate (CAS: 209860-87-7)?

Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate (CAS: 209860-87-7) is a complex ester compound featuring a heptanoate backbone with multiple functional groups. Its structure includes a cyclopentyl ring substituted with hydroxyl and difluoro groups, a phenoxy-linked butenyl chain, and stereoisomers at various positions. The compound is known for its specific stereochemistry and fluorinated components, making it relevant in pharmaceutical and organic chemistry research.

What are the main uses of Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate (CAS: 209860-87-7)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in the synthesis of bioactive molecules. It may also find applications in chemical research due to its complex structure, enabling studies on stereochemistry and fluorinated organic compounds. Its use in industrial or food sectors is limited, as it is more specialized for scientific and medicinal purposes.

Is Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate (CAS: 209860-87-7) safe?

Safety of this compound depends on handling conditions. It is classified as hazardous due to its fluorinated and phenoxy groups, which may pose risks upon exposure. Proper use of personal protective equipment (PPE) and adherence to safety standards in controlled environments are essential. While it is not typically considered toxic in low concentrations, long-term or improper exposure could lead to adverse effects, necessitating careful handling in laboratories and industrial settings.

How should Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoate (CAS: 209860-87-7) be stored?

This compound should be stored in a cool, dry place, away from light, in sealed, airtight containers to prevent degradation. Maintaining low humidity and temperature control (ideally below 25°C) is crucial for stability. It is recommended to store it in a well-ventilated area and avoid exposure to moisture or heat to ensure longevity and safety during handling.