4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione

Basic Information

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CAS Number

5442-12-6

Molecular Formula

C8H8O4

Molecular Weight

168.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Physical State

solid

Melting Point

114-116ºC

Boiling Point

362.464ºC at 760 mmHg

Density

1.468 g/cm3

Flash Point

167.017ºC

Refractive Index

1.55

SMILES

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C1CC2C3C(C1O2)C(=O)OC3=O

InChI

InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2

InChIKey

JAABVEXCGCXWRR-UHFFFAOYSA-N

LogP

-0.13660000000000028

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

246

Synonyms & References

English

Isocantharidin
Spectrum4_000601
4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione; 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride
4,10-dioxatricyclo[5.2.1.0<2,6>]decane-3,5-dione
CHEBI:197221
51154-98-4
FT-0614776
TIMTEC-BB SBB005955;4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-;4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione
Spectrum3_001634
KBio2_007283
NCGC00015756-14
NCGC00015756-07
BRD-A66914119-001-04-0
NCGC00094161-04
HMS3370H07
NCI60_001019
29745-04-8
MFCD00213361
NSC-148536
MLS002153470
NCGC00094161-06
NSC59023
LP00830
NCGC00094161-05
3-(5'-(4-(diphenylamino)phenyl)-[2,2'-bithiophen]-5-yl)cyclohex-2-enone
KBioGR_001122
FT-0621477
Tox21_500830
Spectrum2_001683
HY-N0585
NCGC00015756-09

MDL Number

MFCD00213361

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 5442-12-6)?

4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 5442-12-6) is a white crystalline solid with a molecular weight of approximately 198.2 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents. It is stable under normal conditions but should be stored in a cool, dark place to prevent degradation.

How is 4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 5442-12-6) typically synthesized?

4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione can be synthesized through a multistep process involving ring-closing metathesis, followed by ring-opening epoxidation. Common catalysts include ruthenium-based complexes. The yield is typically around 70-80%, and selectivity for the desired product is high. This method ensures high purity and reliability of the final product.

What industries use 4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 5442-12-6)?

4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione is primarily used in pharmaceuticals, where it serves as a precursor for the synthesis of various bioactive molecules. It also finds applications in the polymer industry for the development of特种材料，如高分子材料，以及用于传感器和半导体领域，作为关键的有机化合物。

What precautions should be taken when handling 4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 5442-12-6)?

When handling 4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area, preferably a fume hood. Spills should be cleaned up promptly using appropriate absorbents, and the area should be rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.