1-(2-Methyl-2-propanyl)-2-pyrrolidinone

Basic Information

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CAS Number

20687-53-0

Molecular Formula

C8H15NO

Molecular Weight

141.21 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

Boiling Point

227 ºC

Flash Point

97 ºC

SMILES

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CC(C)(C)N1CCCC1=O

InChI

InChI=1S/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-6H2,1-3H3

InChIKey

LUVQSCCABURXJL-UHFFFAOYSA-N

LogP

1.4073

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Synonyms & References

English

1-tert-butylpyrrolidin-2-one
DTXSID50174745
AA55UZ4XZN
D92951
SY264201
MFCD00673042
1-TERT-BUTYL-2-PYRROLIDINONE
1-(1,1-DIMETHYLETHYL)-2-PYRROLIDINONE
SCHEMBL329516
AKOS028110919
UNII-AA55UZ4XZN
2-Pyrrolidinone, 1-(1,1-dimethylethyl)-
N-t-butyl-2-pyrrolidinone
1-tert-butyl-pyrrolidin-2-one
20687-53-0
1-(tert-Butyl)pyrrolidin-2-one
NS00026719
EINECS 243-972-3
AS-63910
1-(tert-butyl)pyrrolidin-2-one
1-tert-Butyl-2-pyrrolidone
1-tert-Butyl-2-pyrrolidinone
N-tert-Butyl-2-pyrrolidone
1-tert-Butyl-2-pyrrolizinone
2-Pyrrolidinone,1-(1,1-dimethylethyl)-

MDL Number

MFCD00673042

FAQ

What are the physical and chemical properties of 1-(2-Methyl-2-propanyl)-2-pyrrolidinone (CAS: 20687-53-0)?

1-(2-Methyl-2-propanyl)-2-pyrrolidinone is a colorless to light yellow liquid with a molecular weight of approximately 140.23 g/mol. It has a high boiling point of around 280°C and is slightly soluble in water. The compound is reactive and can participate in various chemical reactions, such as nucleophilic substitution and condensation reactions.

How is 1-(2-Methyl-2-propanyl)-2-pyrrolidinone (CAS: 20687-53-0) typically synthesized?

1-(2-Methyl-2-propanyl)-2-pyrrolidinone is commonly synthesized via the reaction of 2-methyl-2-propanol with pyrrolidine. The process typically involves a base-catalyzed condensation reaction, yielding a high yield of the target compound with good selectivity.

What industries use 1-(2-Methyl-2-propanyl)-2-pyrrolidinone (CAS: 20687-53-0)?

1-(2-Methyl-2-propanyl)-2-pyrrolidinone is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of pharmaceuticals. It is also utilized in polymer synthesis and as a solvent in the semiconductor industry and in the production of sensors due to its excellent solvating properties.

What precautions should be taken when handling 1-(2-Methyl-2-propanyl)-2-pyrrolidinone (CAS: 20687-53-0)?

When handling 1-(2-Methyl-2-propanyl)-2-pyrrolidinone, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, use appropriate spill cleanup materials and follow the safety data sheet (SDS) guidelines for disposal.