(3aR,5S,6R,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Basic Information

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CAS Number

2595-05-3

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

Melting Point

74.0 to 77.0 deg-C

Boiling Point

362.8℃ at 760 mmHg

Flash Point

173.2℃

Solubility

Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Sligjhtly)

Refractive Index

36.5 ° (C=1, CHCl3)

Vapor Pressure

0.0±1.8 mmHg at 25°C

Specific Rotation

37.5 º (c=1,chloroform)

SMILES

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CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C

InChI

InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7-,8-,9-,10-/m1/s1

InChIKey

KEJGAYKWRDILTF-VVULQXIFSA-N

LogP

0.3751999999999993

Topological Polar Surface Area

66.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

342

Safety Information

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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

Stability

Acid Sensitive

Synonyms & References

English

(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
1,2,5,6-di-o-isopropylidene-alpha-d-allofuranose
AM84846
(3aR,5S,6R,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-6-ol
AKOS015919940
AKOS015924840
MFCD00135634
2595-05-3
CS-W008335
F12145
KEJGAYKWRDILTF-VVULQXIFSA-N
alpha-d-Allofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-
1,2:5,6-Di-O-isopropylidene-
D2265
1,2:5,6-Di-O-isopropylidene-alpha-D-allofuranose
A-D-allofuranose
(3aR,5S,6R,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol
DS-0805
SCHEMBL210131
1,2:5,6-Di-O-isopropylidene-alpha-D-allofuranose, 98%
1,2:5,6-Di-O-isopropylidene-a-D-allofuranose
1,2:5,6-DI-O-ISOPROPYLIDENE-ALPHA-D-ALLOFURANOSIDE
1,2:5,6-Di-O-isopropylidene-α-D-allofuranose
(3aR,5S,6R,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
1,2,
1,2﹕5,6-Di-O-isopropylidene-alpha-D-allo-furanose
1,2:5,6-Diacetone-D-allofuranose
1,2:5,6-Di-O-isoprop
1,2:5,6-DI-O-ISOPROPYLIDENE-A-D
1,2:5,6-DI-O-ISOPROPYLIDENE-D-ALLOFURANOSE

MDL Number

MFCD00135634

Customs Code

2932999099

FAQ

What regulatory guidelines apply to (3aR,5S,6R,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CAS: 2595-05-3)?

This compound is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for chemical safety. Specific GHS labels include flammability and health hazards. In the context of REACH, manufacturers and importers need to register this substance if the annual tonnage exceeds thresholds. FDA and EPA may mandate testing for environmental and health impacts, and the compound should be handled according to their guidelines.

Are there alternatives to (3aR,5S,6R,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CAS: 2595-05-3) in synthesis?

Alternatives to this compound include similar 1,3-dioxolanes with different substituents, such as 2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol, and other cyclic ethers. Isomers like (3aS,5S,6R,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol or analogs with different functional groups can also be considered. Alternatively, common reagents like diethyl oxalate or dimethyl carbonate might be used as substitutes.

What is the market or research trend for (3aR,5S,6R,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CAS: 2595-05-3)?

Research trends for this compound focus on its use as a building block in organic synthesis and as a potential material for pharmaceutical applications. Market trends indicate increasing demand for customized intermediates in the pharmaceutical industry. Recent studies explore its reactivity and structural properties, leading to its potential in various chemical processes and new product development.

How should waste containing (3aR,5S,6R,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CAS: 2595-05-3) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a well-ventilated area. Incineration or professional waste disposal services are recommended. Environmental protection precautions include ensuring no leakage into water bodies and following local regulations for hazardous waste management. Proper labeling and documentation of waste management activities are necessary to comply with regulatory requirements.