(1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one | CAS No. 80808-96-4

(1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Basic Information

CAS Number

80808-96-4

Molecular Formula

C9H16N2O

Molecular Weight

168.24 g/mol

AD

Basic Physical Properties

O=C1C2(C)CNCC1(C)CNC2

InChI

InChI=1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3

InChIKey

VAXDAORNOMZREO-UHFFFAOYSA-N

LogP

-0.22549999999999998

Topological Polar Surface Area

41.13 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

195

Synonyms & References

English

  • 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
  • 3,7-diazabicyclo[3.3.1]nonan-9-one, 1,5-dimethyl-
  • 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one(SALTDATA: FREE)

MDL Number

MFCD01083139

FAQ

What are the physical and chemical properties of (1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS: 80808-96-4)?

(1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one has a melting point of 77-79°C, a molecular weight of 190.23 g/mol, and is slightly soluble in water. It is an amphoteric compound, exhibiting both acidic and basic properties. It is reactive towards nucleophiles and electrophiles due to its conjugated structure.

How is (1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS: 80808-96-4) typically synthesized?

(1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one can be synthesized via the Corey-Kim modification of the Wittig olefination. The synthesis involves the reaction of (Z)-5,9-dimethyl-1,5-diphenyl-3,7-diaza-bicyclo[3.3.1]non-3-en-9-one with methyl iodide in the presence of a base like sodium hydride, yielding a high yield of the desired product.

What industries use (1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS: 80808-96-4)?

(1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various bioactive compounds and is also utilized in the development of novel materials and sensors.

What precautions should be taken when handling (1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS: 80808-96-4)?

When handling (1s,5s)-1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be ventilated thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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