(1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate | CAS No. 74842-93-6

(1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate

Basic Information

CAS Number

74842-93-6

Molecular Formula

C16H18O4

Molecular Weight

274.32 g/mol

AD

Basic Physical Properties

C1C2CC(=O)CC2C(C1OC(=O)C3=CC=CC=C3)CO

InChI

InChI=1S/C16H18O4/c17-9-14-13-8-12(18)6-11(13)7-15(14)20-16(19)10-4-2-1-3-5-10/h1-5,11,13-15,17H,6-9H2/t11-,13-,14+,15+/m0/s1

InChIKey

IFCJCYGBDIDFBS-SPWCGHHHSA-N

LogP

1.8195000000000001

Topological Polar Surface Area

63.6 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

386

Synonyms & References

English

  • (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxo-octahydropentalen-2-yl benzoate
  • IFCJCYGBDIDFBS-SPWCGHHHSA-N
  • J-500416
  • 74842-93-6
  • (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate
  • [(1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl] benzoate
  • A854993
  • (1R,5S,6S,7R)-7-Benzoyloxy-6-hydroxymethylbicyclo[3,3,0]octan-3-one
  • 2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxyMethyl)-, [3aS-(3a,4,5,6a)]-
  • SCHEMBL10730857
  • 2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, [3aS-(3aalpha,4alpha,5beta,6aalpha)]-
  • DTXSID201127500
  • 2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, [3aS-(3a,4,5,6a)]-
  • 2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, [3aS-(3aa,4a,5b,6aa)]-

MDL Number

MFCD23115452

FAQ

What is (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate (CAS: 74842-93-6)?

(1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate is a complex organic compound with a unique structure that includes a benzoate moiety and a fused ring system. It is highly stable and has a molecular weight of approximately 302.24 g/mol. This compound is primarily used in pharmaceutical and research applications due to its unique chemical properties.

What are the main uses of (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate (CAS: 74842-93-6)?

The main uses of (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate include its application in pharmaceuticals as an intermediate or active pharmaceutical ingredient. It is also used in research for its unique chemical properties, potentially in the development of new drugs and materials.

Is (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate (CAS: 74842-93-6) safe?

Generally, (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate is considered safe when handled properly. However, as with any chemical, it is important to follow safety guidelines, including the use of protective equipment and proper storage conditions to minimize risk of exposure.

How should (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate (CAS: 74842-93-6) be stored?

To ensure the stability and safety of (1S,2R,3aR,6aS)-1-(hydroxymethyl)-5-oxooctahydropentalen-2-yl benzoate, it should be stored in a cool, dry place away from direct sunlight and heat sources. The compound should be kept in a tightly sealed container to prevent degradation and contamination. Storage at temperatures below 25°C is recommended for optimal preservation.

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