(3S,3aR,4S,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

Basic Information

View in Editor

CAS Number

481-05-0

Molecular Formula

C15H18O4

Molecular Weight

262.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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 Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

203°

Boiling Point

bp0.1 260°

Specific Rotation

D23 -84.9° (c = 3 in 95% ethanol)

SMILES

View in Editor

CC1C2C(CC3(C=CC(=O)C(=C3C2OC1=O)C)C)O

InChI

InChI=1S/C15H18O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h4-5,8,10-11,13,17H,6H2,1-3H3/t8-,10-,11+,13-,15+/m0/s1

InChIKey

LUHMMHZLDLBAKX-DBIGVJDZSA-N

LogP

1.3903999999999999

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

530

Safety Information

View Safety Information

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

CHEMBL158124
Y1R67R7XWU
NS00093648
(3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
UNII-Y1R67R7XWU
SRI-2813
C09344
4-HYDROXYSANTONIN [MI]
DTXSID80877833
Artemisin
(3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
481-05-0
CHEBI:2852
Q27105849
Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,4alpha,5abeta,9bbeta))-
SCHEMBL83537
3a,5,5a,9b-Tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
ARTEMISIN [MI]
3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione
artemisin
(3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9,9b-tetramethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
(3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

MDL Number

MFCD16038297

FAQ

What regulatory guidelines apply to (3S,3aR,4S,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (CAS: 481-05-0) in chemical synthesis?

This compound is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its potential hazards. It falls under the European Union’s REACH regulations, which require manufacturers and importers to register substances and assess their health and environmental impacts. Additionally, the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) may have specific requirements for its use and disposal in the United States, depending on the intended application.

Are there alternatives to (3S,3aR,4S,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (CAS: 481-05-0) in synthesis?

There are several alternatives to this compound in synthesis, including isomers such as (3R,3aR,4R,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione and other reagents like substituted furans or related naphtho[1,2-b]furan derivatives. These alternatives can offer similar or different reactivity in various synthetic pathways.

What is the market or research trend for (3S,3aR,4S,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (CAS: 481-05-0)?

The market for this compound is growing due to its use in developing pharmaceuticals and agrochemicals. Research trends indicate increasing interest in its potential applications in disease modeling and drug discovery. The compound is also gaining attention for its role in biosynthesis and natural product chemistry.

How should waste containing (3S,3aR,4S,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (CAS: 481-05-0) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a secure, well-ventilated area. It should be disposed of through a licensed hazardous waste disposal service. Environmental protection precautions include ensuring the waste is neutralized before disposal and following all local, state, and federal regulations related to hazardous waste management. Proper incineration or chemical neutralization followed by safe landfilling is recommended.