(3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one

Basic Information

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CAS Number

76704-05-7

Molecular Formula

C8H12O4

Molecular Weight

172.18 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

Basic Physical Properties

Melting Point

114-118 °C

Boiling Point

406.62°C at 760 mmHg

Density

1.365

Flash Point

172.938°C

Refractive Index

1.546

Specific Rotation

-44 º (c=1.4 in MeOH)

SMILES

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C1C(C(C2C1OC(=O)C2)CO)O

InChI

InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m0/s1

InChIKey

VYTZWRCSPHQSFX-ZTYPAOSTSA-N

LogP

-0.7088000000000003

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

203

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CS-0107215
AC7752
A852360
(3aS,4R,5S,6aR)-(+)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, 98%
76704-05-7
(3aS,4R,5S,6aR)-hexahydro-5-hydroxy-4-(hydroxymethyl)cyclopenta[b]furan-2-one;(3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one
(3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one
(3aS,4R,5S,6aR)-(+)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
MFCD00274285
BCP13877
2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-(hydroxymethyl)-, [3aS-(3aalpha,4alpha,5beta,6aalpha)]-
AC-28162
DS-8809
(+)-Corey Lactone Diol
AKOS025147067
2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-(hydroxymethyl)-, (3aS,4R,5S,6aR)-
Corey lactone diol, (+)-
(3aS,4R,5S,6aR)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
DTXSID20454586
SCHEMBL880199
J-501173
CS4LG4RY8A
(3AS,4R,5S,6AR)-5-HYDROXY-4-(HYDROXYMETHYL)-HEXAHYDROCYCLOPENTA[B]FURAN-2-ONE
(-)-Corey Lactone Diol
COREY LACTONE DIOL
(+)-Corey Lactone Diol
(-)-entecavir
(+)-Corey lactone
(1S,3R,4S)-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]guanine
[14C]-Entecavir

MDL Number

MFCD00274285

Customs Code

2932209090

FAQ

What regulatory guidelines apply to (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one (CAS: 76704-05-7)?

The compound (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one falls under the GHS classification for health hazards. It is regulated under the REACH regulations in the European Union, requiring registration and risk assessment. FDA and EPA may also have specific requirements for its use and disposal. Proper storage and handling should comply with these guidelines to ensure safety and regulatory compliance.

Are there alternatives to (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one in synthesis?

Several alternatives can be used in the synthesis of (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one, including its isomers and analogs. Common reagents like 2-hydroxy-3-methylbutyric acid or 4-hydroxy-3-methylpentanoic acid can be considered. These alternatives may offer different reactivity profiles and can be chosen based on the specific requirements of the synthesis process.

What is the market or research trend for (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one (CAS: 76704-05-7)?

The market for (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one is growing due to its potential applications in pharmaceutical and cosmetics industries. Research trends are focusing on its synthesis methods, bioactivity, and environmental impacts. The compound's increasing demand is driven by its unique chemical properties and promising applications in various fields.

How should waste containing (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one (CAS: 76704-05-7) be handled?

Waste containing (3aS,4R,5S,6aR)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one should be handled according to local regulations. Collection and disposal should be done by professional waste management companies. Incineration is a common method, but environmental protection precautions, such as minimizing emissions, should be taken. Proper storage of waste is also essential to prevent environmental contamination.