[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (non-preferred name)

Basic Information

View in Editor

CAS Number

20880-92-6

Molecular Formula

C12H20O6

Molecular Weight

260.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

No data available

Melting Point

94.0 to 98.0 deg-C

Boiling Point

332.6°C at 760 mmHg

Density

1.1810

Flash Point

154.9±26.5 °C

Solubility

Soluble in chloroform, ethyl acetate, methanol.

Refractive Index

1.522

Specific Rotation

-24 to -27 °(c=1, in CHCl3)

SMILES

View in Editor

CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C

InChI

InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1

InChIKey

PSSHGMIAIUYOJF-XBWDGYHZSA-N

LogP

0.3767999999999996

Topological Polar Surface Area

66.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

355

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS015901555
Q27289341
NSC-407023
BCP9000603
D-Fructopyranose diacetonide
NSC 407023
Diacetonefructose
2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose
2,3:4,5-Di-O-isopropylidene-?-D-fructopyranose
2,3:4,5-DI-O-ISOPROPYLIDENE-.BETA.-D-FRUCTOPYRANOSE
.beta.-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-
[(1R,2R,6S,9R)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
2,3:4,5-di-o-isopropylidene-b-d-fructopyranose
MFCD00022183
[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol
Topiramate impurity A
SQ9F5005S8
A11769
CS-W012508
beta-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-
SCHEMBL607816
2,3:4,5-BIS-O-(1-METHYLETHYLIDENE)-.BETA.-D-FRUCTOPYRANOSE
2,3:4,5-Di-O-isopropylidene- beta -D-fructopyranose
2,3:4,5-Di-o-isopropylidene-beta-D-fructopyranos, (-)-
((3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL)METHANOL
Diacetone-beta-D-fructose
2,3:4,5-DI-O-ISOPROPYLIDENE-.BETA.-D-FRUCTOPYRANOS, (-)-
UNII-SQ9F5005S8
DS-3293
2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose

MDL Number

MFCD00022183

FAQ

What is [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6)?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6) is a complex organic compound with a molecular structure featuring multiple chiral centers and oxygen-containing rings. It is classified as a bis(dioxole) derivative of pyran, with methanol as a functional group, and exhibits specific stereochemistry (3aS,5aR,8aR,8bS). Its properties include solubility in polar solvents and potential applications in specialized chemical research.

What are the main uses of [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6)?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6) is primarily used as a synthetic intermediate in pharmaceutical and chemical research. Its unique structure may contribute to applications in drug development, particularly for compounds requiring stereocontrolled synthesis. It is also studied for potential roles in organic chemistry due to its complex ring system and functional groups.

Is [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6) safe?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6) should be handled with standard chemical safety precautions. While specific toxicity data may be limited, it is advisable to avoid inhalation, skin contact, and ingestion. Proper ventilation, protective gloves, and eye protection are recommended. Always follow safety guidelines from reliable chemical databases or manufacturers.

How should [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6) be stored?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (CAS: 20880-92-6) should be stored in a cool, dry, and dark place to maintain stability. Keep it in a sealed container to prevent moisture ingress, and avoid exposure to air or heat. Store away from incompatible substances and ensure proper labeling for safe handling.