2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-ox oethyl acetate | CAS No. 356-12-7

Basic Information

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CAS Number

356-12-7

Molecular Formula

C26H32F2O7

Molecular Weight

494.53 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

309 ºC

Boiling Point

591.1°C at 760 mmHg

Solubility

DMSO: ≥19mg/mL

Specific Rotation

D +83° (chloroform)

SMILES

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CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C

InChI

InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

InChIKey

WJOHZNCJWYWUJD-IUGZLZTKSA-N

LogP

2.9376000000000015

Topological Polar Surface Area

99.13000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

1070

Safety Information

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Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

Fluocinonide
1,4-PREGNADIEN-6-ALPHA, 9-ALPHA-DIFLUORO-11-BETA, 16-ALPHA, 17,21-TETROL-3,20-DIONE 16,17-ACETONIDE 21-ACETATE
FLUOCINOLONE ACETONIDE 21-ACETATE
FLUOCINOMIDE
FLUOCINONIDE ACETONIDE 21-ACETATE
droxy-,cyclic17-acetalwithacetone,21-acetate
flucinar
fluocinolide
Fluocinolone
Fluocinolone Acetonide Acetate
(6α,11β,16α)-21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione
Lonide
Pregna-1,4-diene-3,20-dione,6a,9-difluoro-11b,16a,17,21-tetrahydroxy-, cyclic 16,17-acetal withacetone, 21-acetate (7CI,8CI)
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxole,pregna-1,4-diene-3,20-dione deriv.
Biscosal
Dermaplus
Flucetonide
Fluocinolide acetate
Lidex
Lidex E
Metosyn
NSC101791
Straderm
Topsym
Topsymin
Topsyn
Topsyne
Vanos
Fluocinolone acetonide
Fluonex
LIDEX-E

MDL Number

MFCD00079302

Customs Code

2937210000

FAQ

What is 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate (CAS: 356-12-7)?

2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate (CAS: 356-12-7) is a complex organic ester with a highly branched, fluorinated, and hydroxylated structure. It exhibits solubility in polar organic solvents and is characterized by its stereochemistry and functional groups, making it a specialized compound in chemical research and pharmaceutical applications.

What are the main uses of 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate (CAS: 356-12-7)?

This compound is primarily used as a pharmaceutical intermediate in the synthesis of drugs targeting neurological or anti-inflammatory pathways. It may also serve in specialized chemical research for studying fluorinated and hydroxylated functional groups, and in industrial applications requiring complex organic molecules with tailored stereochemistry and reactivity.

Is 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate (CAS: 356-12-7) safe?

Safety data for this compound is limited, but as with many complex organic chemicals, it may require careful handling. Precautions include avoiding prolonged skin contact, inhalation, or ingestion. Always follow established safety protocols, consult Safety Data Sheets (SDS), and adhere to regulatory guidelines to ensure safe use in laboratory or industrial settings.

How should 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate (CAS: 356-12-7) be stored?

Store this compound in a sealed, cool (≤25°C), and dry place, away from light. Maintain low humidity to prevent hydrolysis, and use airtight containers to avoid exposure to air. For long-term stability, keep it in a well-ventilated area and ensure proper labeling to comply with chemical storage standards.