2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate

Basic Information

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CAS Number

99780-97-9

Molecular Formula

C9H16N2O3

Molecular Weight

200.24 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

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)NC1CCNC1=O

InChI

InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-5-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)

InChIKey

DVWCHAUBYVZILO-UHFFFAOYSA-N

LogP

0.39959999999999984

Topological Polar Surface Area

67.43 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

245

Safety Information

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Hazard Statement

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

AKOS016009132
tert-Butyl (2-oxopyrrolidin-3-yl)carbamate
BCP25970
MFCD03426144
(R)-3-(Boc-amino)-2-pyrrolidone
FT-0734523
BCP25971
Tert-butyl N-(2-oxopyrrolidin-3-yl)carbamate
AB64422
tert-Butyl(2-oxopyrrolidin-3-yl)carbamate
3-(Boc-amino)pyrrolidin-2-one
3-(tert-Butoxycarbonylamino)-2-oxopyrrolidine
A858425
FT-0687337
(R)-3-(Boc-amino)-2-oxopyrrolidine
ZDA78097
CS-W006138
tert-butyl 2-oxopyrrolidin-3-ylcarbamate
MFCD11616145
Carbamic acid, (2-oxo-3-pyrrolidinyl)-, 1,1-dimethylethyl ester
SY024478
3-BOC-aminopyrrolidin-2-one
(2-oxo-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
SY034735
AB14795
99780-97-9
SCHEMBL320341
3-BOC-Amino-pyrrolidin-2-one
SY034734
DS-4472
DVWCHAUBYVZILO-UHFFFAOYSA-N

MDL Number

MFCD11007813

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate (CAS: 99780-97-9)?

2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate is a crystalline compound with a molecular weight of approximately 203.24 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. The compound is reactive towards nucleophiles and can undergo hydrolysis. It has a melting point of around 135-137°C and is stable under normal conditions.

How is 2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate (CAS: 99780-97-9) typically synthesized?

2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate is typically synthesized via amide coupling of 2-methyl-2-propanyl isocyanate with 2-oxo-3-pyrrolidine carboxylate. The reaction is carried out in the presence of a suitable base such as triethylamine to enhance the nucleophilicity of the carboxylate. This method provides good yield and high purity of the target compound.

What industries use 2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate (CAS: 99780-97-9)?

2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate finds applications in the pharmaceutical industry, where it serves as a precursor for the synthesis of various bioactive compounds. It is also used in polymer science for the modification of polymers and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-proanyl (2-oxo-3-pyrrolidinyl)carbamate (CAS: 99780-97-9)?

When handling 2-Methyl-2-propanyl (2-oxo-3-pyrrolidinyl)carbamate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for specific safety information and emergency procedures.