(3aR,4R,5R,6aS)-2-Oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl benzoate | CAS No. 55076-60-3

(3aR,4R,5R,6aS)-2-Oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl benzoate

Basic Information

CAS Number

55076-60-3

Molecular Formula

C25H24O5

Molecular Weight

404.46 g/mol

AD

Basic Physical Properties

Boiling Point

606.9°C at 760 mmHg

Density

1.25

C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=CC=C3)C=CC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H24O5/c26-19(12-11-17-7-3-1-4-8-17)13-14-20-21-15-24(27)29-23(21)16-22(20)30-25(28)18-9-5-2-6-10-18/h1-10,13-14,20-23H,11-12,15-16H2/b14-13+/t20-,21-,22-,23+/m1/s1

InChIKey

XMDHRDDKCRNISB-ZTWUSJMCSA-N

LogP

3.921700000000003

Topological Polar Surface Area

69.67000000000002 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

657

Synonyms & References

English

  • (1S,5R,6R,7R)-6-[(E)-3-Oxo-5-phenyl-1-pentenyl]-7-benzoyloxy-2-oxabicyclo[3,3,0]octan-3-one
  • (3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-5-phenylpent-1-enyl)-hexahydro-2H-cyclopenta[b]furan-5-yl benzoate
  • [(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
  • (3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-ylbenzoate
  • 55076-60-3
  • XMDHRDDKCRNISB-ZTWUSJMCSA-N
  • SCHEMBL4337454
  • AKOS015896627
  • (3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl benzoate
  • AC-24763
  • Benzoic acid (3aR,4R,5R,6aS)-2-oxo-4((E)-3-oxo-5-phenyl-pent-1-enyl)-hexahydro-cyclopenta[b]furan-5yl ester
  • A854998
  • Benzoic acid (3aR, 4R, 5R, 6aS)-2-oxo-4((E)-3-oxo-5-phenyl-pent-1-enyl)-hexahydro-cyclopenta[b]furan-5yl ester
  • J-501132
  • (3AR,4R,5R,6AS)-5-(BENZOYLOXY)HEXAHYDRO-4-[(1E)-3-OXO-5-PHENYL-1-PENTENYL]-2H-CYCLOPENTA[B]FURAN-2-ONE
  • 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-
  • (3aR,4R,5R,6aS)-4-[3-oxo-5-phenyl-1E-pentenyl]-5-(benzoyloxy)-hexahydro-2H-cyclopenta[b]furan-2-one
  • benzoic acid (3aR,4R,5R,6aS)-2-oxo-4((E)-3-oxo-5-phenyl-pent-1-enyl)-hexahydro-cyclopenta[b]furan-5-yl ester

MDL Number

MFCD16619180

FAQ

What regulatory guidelines apply to (3aR,4R,5R,6aS)-2-Oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55076-60-3)?

This compound is subject to various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations in the European Union, and FDA/EPA requirements for use in pharmaceuticals and environmental safety. Specific handling, storage, and disposal regulations may also apply based on local and national laws.

Are there alternatives to (3aR,4R,5R,6aS)-2-Oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55076-60-3) in synthesis?

There are several alternatives to this compound in synthesis, including isomers and analogs such as (3aS,4S,5S,6aR)-2-Oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl benzoate. Common alternative reagents may include other benzoates or derivatives with similar functional groups.

What is the market or research trend for (3aR,4R,5R,6aS)-2-Oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55076-60-3)?

There is ongoing research into this compound for its potential applications in pharmaceuticals and materials science. Market trends suggest increasing interest in its use as a precursor for advanced materials and as a component in specialized chemical formulations.

How should waste containing (3aR,4R,5R,6aS)-2-Oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55076-60-3) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of by a licensed waste management facility. Incineration or professional waste disposal services are recommended to ensure compliance with environmental protection standards. Always follow local regulations and guidelines for safe disposal.

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