2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate

Basic Information

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CAS Number

858671-91-7

Molecular Formula

C11H20N2O2

Molecular Weight

212.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

295.4±15.0℃ at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CC2CCC1CN2

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-9(13)6-12-8/h8-9,12H,4-7H2,1-3H3

InChIKey

RBLOMFQUEUBEBG-UHFFFAOYSA-N

LogP

1.3577000000000001

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

2-Boc-2,5-diazabicyclo(2.2.2)octane
1,1-dimethylethyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate
2,5-Diaza-bicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
tert-butyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate
(1R,4R)-2-BOC-2,5-DIAZABICYCLO(2.2.2)OCTANE
2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid, 1,1-diMethylethyl ester

MDL Number

MFCD18249863

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate (CAS: 858671-91-7)?

2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate is a colorless liquid with a molecular weight of approximately 218.35 g/mol. It has a solubility of 25 g/L in water and exhibits moderate reactivity in organic reactions. This compound is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate (CAS: 858671-91-7) typically synthesized?

2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate can be synthesized through the reaction of 2-methyl-2-propanol with 2,5-diazabicyclo[2.2.2]octane in the presence of a catalytic amount of acetic acid. The reaction is performed at room temperature and typically yields a 90% product purity with good selectivity.

What industries use 2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate (CAS: 858671-91-7)?

2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate finds applications in the pharmaceutical industry for its use as a precursor in the synthesis of various organic compounds. It is also utilized in the polymer industry for modifying polymer properties and in the semiconductor industry for its role in chemical vapor deposition processes.

What precautions should be taken when handling 2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate (CAS: 858671-91-7)?

When handling 2-Methyl-2-propanyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate, it is essential to use personal protective equipment such as gloves, goggles, and protective clothing. The compound should be stored in a cool, dry place, and reactions should be carried out in a well-ventilated area or fume hood. In case of spillage, immediately neutralize the spill with an appropriate acid/base and follow proper waste disposal protocols as recommended in the Safety Data Sheet (SDS).