(3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione

Basic Information

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CAS Number

71749-03-6

Molecular Formula

C8H10O3

Molecular Weight

154.17 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

Melting Point

164.0 to 168.0 deg-C

Refractive Index

85 ° (C=1, Dioxane)

SMILES

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C1CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m1/s1

InChIKey

MUTGBJKUEZFXGO-PHDIDXHHSA-N

LogP

0.8761999999999999

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

187

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Synonyms & References

English

SCHEMBL598374
1,3-Isobenzofurandione, hexahydro-, trans-
DTXSID60449118
trans-Hexahydrophthalic anhydride
( inverted exclamation markA)-trans-1,2-Cyclohexanedicarboxylic Anhydride
D89440
racemic trans-hexahydroisobenzofuran-1,3-dione
trans-1,2-Cyclohexanedicarboxylic anhydride
71749-03-6
trans-Hexahydroisobenzofuran-1,3-dione
CS-0155411
(+)-(R,R)-1,2-Cyclohexanedicarboxylic anhydride
1,3-Isobenzofurandione, hexahydro-, (3aR,7aR)-
(3aR,7aR)-hexahydro-2-benzofuran-1,3-dione
(+/-)-trans-1,2-Cyclohexanedicarboxylic Anhydride
trans-Cyclohexane-1,2-dicarboxylic anhydride
AKOS015833100
14166-21-3
(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
(3aR,7aR)-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione
rel-(3aR,7aR)-Hexahydroisobenzofuran-1,3-dione
AKOS015900342
MFCD00674194
(3aR,7aR)-octahydro-2-benzofuran-1,3-dione
Cyclohexanedicarboxylicanhydride; 98%
(3aR,7aR)-hexahydroisobenzofuran-1,3-dione
MFCD00064345
Hexahydro-2-benzofuran-1,3-dione, trans
AS-63623
(+)-trans-1,2-Cyclohexanedicarboxylic Anhydride
T71260

MDL Number

MFCD00674194

FAQ

What are the physical and chemical properties of (3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione (CAS: 71749-03-6)?

(3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione is a white crystalline solid with a molecular weight of approximately 194.24 g/mol. It is slightly soluble in water but soluble in organic solvents such as ethanol and acetone. The compound is known for its reactive nature, particularly in nucleophilic substitution and electrophilic addition reactions.

How is (3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione (CAS: 71749-03-6) typically synthesized?

(3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione can be synthesized via the condensation of 2-benzofuran-1,3-dione with an appropriate aldehyde in the presence of a catalyst such as hydroxylamine hydrochloride. This process yields the compound with good selectivity and moderate to high yield depending on the reaction conditions.

What industries use (3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione (CAS: 71749-03-6)?

(3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione is mainly used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also has applications in the polymer and sensor industries as a precursor for functional materials and in the semiconductor industry for its unique chemical and physical properties.

What precautions should be taken when handling (3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione (CAS: 71749-03-6)?

When handling (3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the material safety data sheet (MSDS) should be consulted for detailed spill cleanup procedures.