(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one | CAS No. 53872-60-9

(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one

Basic Information

CAS Number

53872-60-9

Molecular Formula

C18H19F3O5

Molecular Weight

372.34 g/mol

AD

Basic Physical Properties

Boiling Point

520.6°C at 760 mmHg

C1C(C(C2C1OC(=O)C2)C=CC(COC3=CC=CC(=C3)C(F)(F)F)O)O

InChI

InChI=1S/C18H19F3O5/c19-18(20,21)10-2-1-3-12(6-10)25-9-11(22)4-5-13-14-7-17(24)26-16(14)8-15(13)23/h1-6,11,13-16,22-23H,7-9H2/b5-4+/t11-,13-,14-,15-,16+/m1/s1

InChIKey

XYSPYIAAWRUEML-AVMWIMHJSA-N

LogP

2.3137999999999996

Topological Polar Surface Area

75.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

535

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (3aR,4R,5R,6aS)-5-Hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
  • (+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-(3-trifluoromethyl)phenoxy-1-butenyl]-2H-cyclopenta[b]furan-2-one
  • (3AR,4R,5R,6AS)-5-HYDROXY-4-((R,E)-3-HYDROXY-4-(3-(TRIFLUOROMETHYL)-PHENOXY)BUT-1-EN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
  • (3aR,4R,5R,6aS)-4-((R,E)-4-(3-(trifluoromethyl)phenoxy)-3-hydroxybut-1-enyl)-hexahydro-5-hydroxycyclopenta[b]furan-2-one
  • HMS3649I17
  • 53872-60-9
  • AMY30073
  • SR-01000946575
  • AKOS015896619
  • 2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-, (3aR,4R,5R,6aS)-
  • C15945
  • SR-01000946575-1
  • SCHEMBL1838024
  • J-501157
  • (3Ar,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
  • (3AR,4R,5R,6aS)-5-Hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)-phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]fur...
  • (3AR,4R,5R,6aS)-5-Hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)-phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
  • (3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
  • Travoprost Epoxide
  • (3aR,4R,5R,6aS)-5-hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)hexahydro-2H-cyclopenta[b]furan-2-one
  • Travoprost Intermediate

MDL Number

MFCD02259359

FAQ

What regulatory guidelines apply to (3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one (CAS: 53872-60-9)?

This compound (CAS: 53872-60-9) is subject to regulatory guidelines such as REACH in the European Union, which requires manufacturers and importers to register substances if they are manufactured or imported in quantities exceeding one tonne per year. Additionally, it must comply with GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for classification and labeling. In the United States, FDA and EPA regulations may apply depending on its intended use, such as in pharmaceuticals or consumer products.

Are there alternatives to (3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one (CAS: 53872-60-9) in synthesis?

There are several alternatives to this compound in synthesis, including isomers such as (3aS,4S,5S,6aR)-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one and other related compounds. Common alternative reagents used in synthesis include various ketones, aldehydes, and carboxylic acids, which can offer similar functionalities and reactivity patterns.

What is the market or research trend for (3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one (CAS: 53872-60-9)?

Research on this compound (CAS: 53872-60-9) is primarily driven by its potential applications in pharmaceuticals and medicinal chemistry, particularly in the development of novel drugs targeting specific disease pathways. Market trends indicate increasing interest in compounds with unique structural features and biologically relevant properties. Additionally, there is ongoing exploration of its use in agrochemicals and materials science, reflecting broader industry demand for specialized reagents and intermediates.

How should waste containing (3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one (CAS: 53872-60-9) be handled?

Waste containing this compound (CAS: 53872-60-9) should be collected and stored in appropriate, sealed containers to prevent leakage and ensure safety. Disposal should follow local and international regulations, including the requirements of REACH and GHS. For specialized waste, incineration or professional waste disposal services may be necessary to ensure environmental protection and compliance with regulatory standards. Employers should provide proper personal protective equipment and follow safety protocols during handling and disposal.

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