(3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione

Basic Information

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CAS Number

2746-19-2

Molecular Formula

C9H8O3

Molecular Weight

164.16 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

142.0 to 146.0 deg-C

Boiling Point

331.1℃ at 760 mmHg

Density

1.4050

SMILES

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O=C1OC([C@]2([H])[C@@](C3)([H])C=C[C@@]3([H])[C@@]21[H])=O

InChI

InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-

InChIKey

KNDQHSIWLOJIGP-RNGGSSJXSA-N

LogP

0.5081

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

277

Safety Information

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GHS Hazard Pictograms

H317

H318

H334

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

(3aR,4R,7S,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione
CIS-5-NORBORNENE-EXO-2,3-DICARBOXYLIC ANHYDRIDE
BICYCLO[2.2.1]HEPT-5-ENE-EXO-2,3-DICARBOXYLIC ANHYDRIDE
(1α,2α,3β,6{f1b})-1,2,3,6-tetrahydro-3,6-methanophthalicanhydride
(3at,7at)-3a,4,7,7a-tetrahydro-4r,7c-methano-isobenzofuran-1,3-dione
3at,7at-3a,4,7,7a-tetrahydro-4r,7c-methano-isobenzofuran-1,3-dione
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aalpha,4beta,7beta,7aalpha)-
5-Norbornene-2,3-dicarboxylic anhydride, cis-exo-
bicyclo(2.2.1)heptene-5-exo-2,3-dicarboxylicanhydride
Exo-5-norbornene-2,3-dicarboxylic anhydride
(cis)-5-Norbornene-endo-2,3-dicarboxylic anhydride
(1α,2α,3β,6β)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride
4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-
cis-Norbornene-exo-2
cis-Norbornene-exo-2,3-dicarboxylic Anhydride
exo-3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride
cis-5-Norbornene-endo-2,3-dicarboxylic anhydride
Himic anhydride
N1KQO6559B
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aalpha,4beta,7beta,7aalpha)- (9CI)
exo-5-Norbornene-2,3-dicarboxylic anhyd
Bicyclo[2.2.1]hept-5-ene-exo-2,3-dicarboxylic Anhydride

MDL Number

MFCD00630580

FAQ

What is (3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione (CAS: 2746-19-2)?

This compound is a synthetic organic molecule with the CAS number 2746-19-2. It features a tetrahydroisobenzofuran ring system and two ketone functional groups, making it a dione. It is known for its specific stereochemistry (3aR,4R,7S,7aS) and is used as an intermediate in chemical synthesis. The compound is typically characterized by its stability and reactivity in organic reactions.

What are the main uses of (3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione (CAS: 2746-19-2)?

This compound is primarily used in pharmaceutical research as a key intermediate in the synthesis of certain drugs. It also finds applications in industrial chemistry for producing specialty materials and in organic research for studying reaction mechanisms. Its unique structure makes it valuable for developing compounds with specific biological activities.

Is (3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione (CAS: 2746-19-2) safe?

Safety of this compound depends on handling conditions. It is considered hazardous and requires proper protective measures, such as gloves and ventilation, during use. While it is not intended for human consumption, adherence to safety standards like OSHA and EPA guidelines is essential to minimize risks. Always follow recommended safety protocols when working with this chemical.

How should (3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione (CAS: 2746-19-2) be stored?

This compound should be stored in a cool, dry place away from light. Maintain storage conditions below 25°C and ensure humidity levels remain below 60% to preserve stability. Use airtight, moisture-proof containers, preferably glass or polyethylene, to prevent degradation. Avoid exposure to heat and moisture to ensure long-term storage integrity.