2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester, (1R,4R)- | CAS No. 1400808-00-5

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester, (1R,4R)-

Basic Information

CAS Number

1400808-00-5

Molecular Formula

C11H17NO3

Molecular Weight

211.26 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CC2CC1CC2=O

InChI

InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-8H,4-6H2,1-3H3

InChIKey

YGENGNQEVDONGO-UHFFFAOYSA-N

LogP

1.5848

Topological Polar Surface Area

46.61 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester, (1R,4R)-
  • tert-butyl 5-oxo-2-aza-bicyclo[2.2.1]heptane-2-carboxylate
  • tert-butyl (1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • (1R,4R)-2-Boc-5-oxo-2-aza-bicyclo[2.2.1]heptane

MDL Number

MFCD22209795

FAQ

What are the physical and chemical properties of (1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester (CAS: 1400808-00-5)?

(1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester is a white crystalline solid with a molecular weight of approximately 258.34 g/mol. It has limited water solubility but good solubility in organic solvents such as dichloromethane and ethanol. Chemically, it shows reactivity typical of carboxylic acid esters, including esterification and hydrolysis reactions.

How is (1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester (CAS: 1400808-00-5) typically synthesized?

(1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester can be synthesized via a multistep process involving the formation of the azabicyclic ring, followed by functionalization with a carboxylic group, and esterification with 1,1-dimethylethyl alcohol. The synthesis typically involves the use of reagents such as phthalimide and sodium hydride, and is performed under mild to moderate conditions.

What industries use (1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester (CAS: 1400808-00-5)?

(1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester is primarily used in the pharmaceutical industry for the synthesis of complex molecules. It also finds applications in the polymer and chemical sensor industries for the development of new materials and sensors.

What precautions should be taken when handling (1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester (CAS: 1400808-00-5)?

Handling (1R,4R)-2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester requires caution. Always wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Work in a fume hood to avoid inhalation. In case of spill, neutralize with an appropriate absorbent and dispose of the material according to local regulations. Refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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