1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione

Basic Information

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CAS Number

76843-23-7

Molecular Formula

C19H18O4

Molecular Weight

310.35 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Red powder

Melting Point

171-173 ºC

Density

1.288±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4CO)C

InChI

InChI=1S/C19H18O4/c1-19(2)7-3-4-11-13(19)6-5-12-15(11)17(22)16(21)14-10(8-20)9-23-18(12)14/h5-6,9,20H,3-4,7-8H2,1-2H3

InChIKey

CEHVTERMWMYLCP-UHFFFAOYSA-N

LogP

3.4318000000000026

Topological Polar Surface Area

67.51 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

526

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

BDA84323
SCHEMBL16152272
BDBM50604718
1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Phenanthrol[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1-(hydroxymethyl)-6,6-dimethyl-
1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
MS-24511
Przewaquinone A
CEHVTERMWMYLCP-UHFFFAOYSA-N
DTXSID101345818
AKOS032949025
E80820
CHEMBL578036
Pr1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
76843-23-7
1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione #
Phenanthro[1,2-b]furan-10,11-dione,6,7,8,9- tetrahydro-1-(hydroxymethyl)-6,6-dimethyl-
6,7,8,9-Tetrahydro-1-(hydroxymethyl)-6,6-dimethylphenanthro[1,2-b]furan-10,11-dione
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MDL Number

MFCD21333242

FAQ

What are the physical and chemical properties of 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione (CAS: 76843-23-7)?

1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione is a yellow crystalline solid with a high melting point. It has a molecular weight of approximately 284.32 g/mol. This compound is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. It is chemically stable but can react with strong acids to form its corresponding carboxylic acid derivative.

How is 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione (CAS: 76843-23-7) typically synthesized?

1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione is usually synthesized via the Baeyer-Villiger oxidation of 6,6-dimethyl-1,2,3,4,5,6-hexahydro-1H-phenanthro[1,2-b]furan-10,11-dione. This process involves the use of peroxy acids like meta-chloroperoxybenzoic acid as the oxidant. The reaction yields the desired compound with high selectivity and good yield.

What industries use 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione (CAS: 76843-23-7)?

1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione is utilized in the pharmaceutical industry for the production of certain medications. It has also been explored in the polymer industry for its potential as a monomer. Additionally, it shows promise in sensor technology due to its unique chemical structure and reactivity.

What precautions should be taken when handling 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione (CAS: 76843-23-7)?

When handling 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, immediately clean up using appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.