2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate

Basic Information

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CAS Number

98541-64-1

Molecular Formula

C8H13NO4

Molecular Weight

187.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Solid

Melting Point

123-125°C

Boiling Point

319°C at 760 mmHg

Density

1.2000

Refractive Index

-26 ° (C=1, CH3CN)

Specific Rotation

-27.0° (c=1, acetonitrile)

SMILES

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CC(C)(C)OC(=O)NC1COC1=O

InChI

InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1

InChIKey

HRJDEHQWXAPGBG-YFKPBYRVSA-N

LogP

0.43649999999999994

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

231

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

MFCD01318414
HRJDEHQWXAPGBG-YFKPBYRVSA-N
AC-23830
(S)-3-BOC-AMINO-2-OXOOXETANE
A-lactone
CS-W016860
GS-6419
N-(tert-Butoxycarbonyl)-L-serine beta-Lactone
(S)-tert-butyl (2-oxooxetan-3-yl)carbamate
tert-butyl N-[(3S)-2-oxooxetan-3-yl]carbamate
(S)-alpha-tert-Butoxycarbonylamino-beta-propiolactone
SCHEMBL518197
N-Boc-L-serine beta-Lactone
(S)-TERT-BUTYL 2-OXOOXETAN-3-YLCARBAMATE
BOC-L-serine beta-lactone
B1995
AKOS015838050
N-Boc-L-serine beta-lactone, >=96.0% (GC)
tert-butyl (S)-(2-oxooxetan-3-yl)carbamate
N-Boc L-Serine beta-Lactone
(S)-tert-butyl 2-oxooxetan-3-ylcarbamate;Boc-L-Serine-beta-Lactone
Carbamic acid, [(3S)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester
AMY7763
N-Boc L-Serine ?-Lactone
2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate
BDBM50389013
(S)-(2-oxooxetan-3-yl)carbamic acid tert-butyl ester
N-(tert-Butoxycarbonyl)-L-serine b-Lactone
N-Boc-L-serine
[(3S)-2-oxo-3-oxetanyl]-1,1-dimethylethyl Ester Carbamic Acid
tert-Butyl [(3S)-2-oxooxetan-3-yl]carbamate

MDL Number

MFCD01318414

Customs Code

2932209090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate (CAS: 98541-64-1)?

2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate is a white crystalline solid with a high molecular weight. It has good solubility in organic solvents but poor water solubility. The compound is moderately reactive, particularly towards nucleophiles. Its pKa is around 4.5, indicating it is a weak acid.

How is 2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate (CAS: 98541-64-1) typically synthesized?

2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate can be synthesized via a multi-step process involving the formation of an oxetane ring followed by acylation. Commonly, this is achieved using oxetane derivatives and carboxylic acid derivatives with the aid of a catalytic system. The yield and selectivity can be improved by optimizing reaction conditions and using appropriate catalysts.

What industries use 2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate (CAS: 98541-64-1)?

2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also employed in the polymer industry for functionalizing polymers, and in the chemical sensing field for developing highly sensitive sensors due to its unique chemical reactivity.

What precautions should be taken when handling 2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate (CAS: 98541-64-1)?

When handling 2-Methyl-2-propanyl [(3S)-2-oxo-3-oxetanyl]carbamate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a fume hood to avoid inhalation. In case of spillage, the area should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions.