(1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

Basic Information

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CAS Number

14805-29-9

Molecular Formula

C9H11NO2

Molecular Weight

165.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

151.0 to 155.0 deg-C

Boiling Point

519.7°C at 760 mmHg

Flash Point

171℃

SMILES

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O=C1NC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21

InChI

InChI=1S/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)/t4-,5+,6+,7-

InChIKey

RIVOBMOBWMOLDJ-RNGGSSJXSA-N

LogP

0.3050999999999995

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

(3aR,7aS)-rel-hexahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione (relative stereo structure))
4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-
(3aR,4S,7R,7aS)-Hexahydro-1H-4,7-Methanoisoindole-1,3(2H)-dione
(3aR,4S,7R,7aS)-rel-Hexahydro-4,7-Methano-1H-isoindole-
exo-2,3-NorbornanedicarboxiMide
Bicyclo[2,2,1]heptane-2,3-di-exo-carboximide
Lurasidone INT 1
Bicyclo[2.2.1]hep-tane-2,3-exo- dicarboximide
(3aR,4S,7R,7aS) 4,7-Methano-1H-isoindole-1,3(2H)-dione
(3aR,4S,7R,7aS)-rel-Hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
2,3-Norbornanedicarboximide, exo-(8CI)
ENDO-2,3-NORBORNANEDICARBOXIMIDE,LIGHT BROWN SOLID
exo-2,3-Norbornanedi
(3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)- dione
rel-(3aR,4S,7R,7aS)-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Nsc238001
exo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)
hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
exo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
(3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

MDL Number

MFCD12964181

Customs Code

2933990090

FAQ

What is (1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9)?

(1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9) is a complex organic compound containing a fused ring system and two ketone groups. It is a white crystalline solid with high molecular stability and is commonly used in chemical synthesis. Its structure includes a nitrogen atom incorporated into a tricyclic framework, making it a valuable intermediate in pharmaceutical research.

What are the main uses of (1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9)?

(1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9) is primarily used in the synthesis of bioactive compounds and pharmaceuticals. It serves as a key intermediate in the development of drugs targeting neurological and metabolic disorders. Its unique structure also makes it applicable in organic chemistry research and specialty chemical manufacturing.

Is (1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9) safe?

(1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9) is generally considered safe when handled properly. However, as with many organic compounds, it should be used with caution, and appropriate safety measures such as gloves and ventilation should be taken. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should (1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9) be stored?

(1R,2S,6R,7S)-4-Azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 14805-29-9) should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is recommended to keep it in a sealed, airtight container to prevent moisture and contamination. Avoid exposure to light and ensure proper ventilation to maintain stability and safety.