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208111-98-2

(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one is a complex organic compound characterized by a unique arrangement of atoms and functional groups. It features a hexahydro segment, indicating the presence of six hydrogen atoms, a benzoyloxy group which is an ester of benzoic acid, and a trifluoromethyl group with three fluorine atoms. (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one also includes a butenyl side chain, a 3-oxo group, and a cyclopenta[b]furan-2-one ring with a carbonyl function at the 2-position. Its stereochemistry is defined by the R and S descriptors at the 3a, 4, 5, and 6a positions, following the Cahn-Ingold-Prelog priority rules. (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one's potential applications are subject to further research and experimental validation.

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

    Cas No: 208111-98-2

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  • Newblue CHEM-- (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one

    Cas No: 208111-98-2

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  • 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-, (3aR,4R,5R,6aS)-

    Cas No: 208111-98-2

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  • 208111-98-2 Structure

  • Basic information

    1. Product Name: (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one
    2. Synonyms: 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-, (3aR,4R,5R,6aS)-;TV-BK;(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one;TV-BK (Travoprost);TV-BPK
    3. CAS NO:208111-98-2
    4. Molecular Formula: C25H21F3O6
    5. Molecular Weight: 474.43
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 208111-98-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 612.5 °C at 760 mmHg
    3. Flash Point: 312.1 °C
    4. Appearance: /
    5. Density: 1.38
    6. Vapor Pressure: 6.09E-15mmHg at 25°C
    7. Refractive Index: 1.573
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one(208111-98-2)
    12. EPA Substance Registry System: (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one(208111-98-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 208111-98-2(Hazardous Substances Data)

208111-98-2 Usage

Uses

Used in Pharmaceutical Research:
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one is used as a research compound for exploring its potential pharmaceutical applications due to its unique structural features and functional groups.
Used in Chemical Synthesis:
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one is used as an intermediate in the synthesis of more complex molecules, particularly in the fields of organic chemistry and materials science, where its specific structural elements can be utilized to create novel compounds with desired properties.
Used in Material Science:
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one is used as a component in the development of new materials, potentially for applications in areas such as coatings, adhesives, or polymers, where its chemical properties may contribute to improved performance.
Note: The specific uses mentioned above are hypothetical and are provided as examples of potential applications based on the compound's structural characteristics. Actual uses would require further research and development to validate their feasibility and effectiveness.

Check Digit Verification of cas no

The CAS Registry Mumber 208111-98-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,8,1,1 and 1 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 208111-98:
(8*2)+(7*0)+(6*8)+(5*1)+(4*1)+(3*1)+(2*9)+(1*8)=102
102 % 10 = 2
So 208111-98-2 is a valid CAS Registry Number.
InChI:InChI=1/C25H21F3O6/c26-25(27,28)16-7-4-8-18(11-16)32-14-17(29)9-10-19-20-12-23(30)33-22(20)13-21(19)34-24(31)15-5-2-1-3-6-15/h1-11,19-22H,12-14H2/b10-9+/t19-,20-,21-,22+/m1/s1

208111-98-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name [(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy ]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benz oate

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:208111-98-2 SDS

208111-98-2Upstream product

208111-98-2Downstream Products

208111-98-2Relevant articles and documents

Improved Process for the Production of Prostaglandins and Prostaglandin Analogs

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Page/Page column 58, (2010/01/29)

The present invention relates to an improved process for the production of prostaglandins and prostaglandin analogs. In particular, this invention relates to the production of prostaglandins of the PGF2α-series, including latanoprost, travoprost, and bimatoprost, which are active pharmaceutical ingredients used for the reduction of elevated intraocular pressure in patients with glaucoma and ocular hypertension.

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