2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate

Basic Information

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CAS Number

398489-26-4

Molecular Formula

C8H13NO3

Molecular Weight

171.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

White to Yellow Solid

Melting Point

50.0 to 54.0 deg-C

Boiling Point

251.3°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CC(=O)C1

InChI

InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3

InChIKey

VMKIXWAFFVLJCK-UHFFFAOYSA-N

LogP

0.8062

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

209

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Moisture Sensitive/Stench

Synonyms & References

English

Z905047144
tert-Butyl-3-oxoazetidine-1-carboxylate
BCP26836
BOC-3-oxo-azetidine
tert-butyl 3-oxoazetidine-1-carboxylate;1-BOC-3-OXO-AZETIDINE
MFCD01861741
AC-1059
3-Oxo-azetidine-1-carboxylic acid tert-butyl ester; tert-Butyl 3-oxoazetidine-1-carboxylate
T-BUTYL 3-OXOAZETIDINE-1-CARBOXYLATE
FT-0649559
1-Azetidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
398489-26-4
1-Boc-azetidin-3-one
Tert-butyl 3-oxoazetidine-1-carboxylate
1-(tert-Butoxycarbonyl)-3-azetidinone
1-Boc-azetidine-3-one
EC 627-725-0
tert-butyl 3-oxoazetidin-1-carboxylate
1-Boc-3-azetidinone, 97%
N-Boc-3-oxoazetidine
CS-D0675
t-butyl-3-oxoazetidine-1-carboxylate
Q-103246
N-BOC-AZETIDIN-3-ONE
NS00002378
AKOS005146177
1-Boc-azetidin-3-on
1-BOC-3-OXO-AZETIDINE
3-oxoazetidine-1-carboxylic acid tert-butyl ester
3-oxo-1-(tert-butoxycarbonyl)azetidine
1-TERT-BUTOXYCARBONYL-3-AZETIDINONE

MDL Number

MFCD01861741

Customs Code

2933990090

FAQ

What is 2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate (CAS: 398489-26-4)?

2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate, with the CAS number 398489-26-4, is an organic compound containing a β-lactam ring and a branched alkyl group. It is characterized by its amide functionality and is known for its reactivity in various chemical reactions. The compound is typically a white solid at room temperature and has a molecular formula of C8H15NO3.

What are the main uses of 2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate (CAS: 398489-26-4)?

This compound is primarily used in pharmaceutical research for the synthesis of β-lactam antibiotics and other bioactive molecules. It also finds applications in organic chemistry as a building block for complex structures. Its unique chemical structure makes it valuable in drug development and chemical modifications for industrial and research purposes.

Is 2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate (CAS: 398489-26-4) safe?

The safety of 2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate depends on its handling and exposure conditions. It is generally considered to have moderate toxicity and should be handled with care in laboratory settings. Protective measures such as gloves, goggles, and proper ventilation are recommended. Always follow safety standards and guidelines when working with this compound.

How should 2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate (CAS: 398489-26-4) be stored?

2-Methyl-2-propanyl 3-oxo-1-azetidinecarboxylate should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to air and ensure storage in a well-ventilated area to maintain stability and prevent degradation.