4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate

Basic Information

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CAS Number

39746-00-4

Molecular Formula

C15H16O5

Molecular Weight

276.29 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

118.0 to 122.0 deg-C

Boiling Point

481.9°C at 760 mmHg

Flash Point

183.3±18.1 °C

Refractive Index

1.5000 (estimate)

Specific Rotation

-80 º (c=0.8, CHCl3 25 ºC)

SMILES

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C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=CC=C3)CO

InChI

InChI=1S/C15H16O5/c16-8-11-10-6-14(17)19-12(10)7-13(11)20-15(18)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2

InChIKey

OBRRYUZUDKVCOO-UHFFFAOYSA-N

LogP

1.1559

Topological Polar Surface Area

72.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

388

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

81244-64-6
2H-Cyclopenta[b]furan-2-one,5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, (3aR,4S,5R,6aS)-
AKOS024462902
AC-6091
CS-0003842
(1S,5R,6S,7R)-6-hydroxymethyl-7-benzoyloxy-2-oxabicyclo[3.3.0]octan-3-one
(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopentafuran-2-one
39746-00-4
C2605
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
(3aR,4S,5R,6aS)-(-)-5-(benzoyloxy)-hexahydro-4(-hydroxymethyl)-2H-cyclopenta[b]furan-2-one
(3aR,4S, 5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
Corey lactone benzoate
[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
MFCD00674102
rel-(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-ylbenzoate
(-)-Corey lactone benzoate
DTXSID90960341
(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
(1S,5R,6S,7R)-7-benzoyloxy-6-hydroxymethyl-2-oxabicyclo[3.3.0]octan-3-one
OBRRYUZUDKVCOO-FVCCEPFGSA-N
AS-16023
HY-20003
SCHEMBL2973096
(-)-Corey Lactone Benzoate
(-)-5-(benzoyloxy)hexahydro-4-(hydroxyme)-2H-cycl
5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one(3aα,4α,5β,6aα)
5-(BENZOYLOXY) HEXAHYDRO-4-(HYDROXYMETHYL)-2H-CYCLOPENTA[B]FURAN-2-ONE
(-) COREY LACTONE BENZOATE
(-)-6Beta-Hydroxymethyl-7Alpha-benzoyloxy-cis-2-oxabicyclo[3.3.0]octan-3-one

MDL Number

MFCD00674102

FAQ

What is 4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 39746-00-4)?

4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate is a cyclic ester derivative used in pharmaceutical and chemical synthesis. It has a molecular formula of C17H18O4 and a molecular weight of approximately 282.36 g/mol. This compound is characterized by its unique cyclic structure, which makes it useful in various chemical reactions and applications.

What are the main uses of 4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 39746-00-4)?

4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate is primarily used in pharmaceutical research and development as a precursor for the synthesis of other active pharmaceutical ingredients. It also has potential applications in the production of functional materials and as a laboratory reagent in organic chemistry.

Is 4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 39746-00-4) safe?

4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate is generally considered safe when handled with proper precautions. It is not known to be toxic to humans or other mammals, but it should be used in well-ventilated areas and with protective gloves and eye protection. Storage in a cool, dry place is recommended to maintain its stability.

How should 4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 39746-00-4) be stored?

4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate should be stored in a cool, dry place away from direct sunlight and sources of heat. The storage temperature should be below 25°C to ensure optimal stability. It should be kept in a tightly sealed container to prevent moisture absorption. Avoid contact with incompatible materials such as strong acids or bases.