CAS 28562-53-0|4-Acetoxy-2-azetidinone|4-oxoazetidin-2-yl acetate|4-oxoazetidin-2-yl acetate|4-Acetoxy-2-azetidinone|4-乙酰氧基-2-氮杂环丁酮

Molecular Formula

C₅H₇NO₃

Molecular Mass

129.11398

Exact Mass

129.04259309

InChI

InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)

InChIKey

OEYMQQDJCUHKQS-UHFFFAOYSA-N

Canonic Smiles

O=C1CC(N1)OC(=O)C

Isomeric Smiles

N1C(=O)CC1OC(=O)C

JChem

Acid pKa

10.277145

H Acceptors

H Donor

LogD (pH = 5.5)

-0.79137546

LogD (pH = 7.4)

-0.79187924

Log P

-0.791369

Molar Refractivity

27.6843

Polarizability

11.329346

Polar Surface Area

55.4

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

119981

Synonyms

4-Acetoxy-2-azetidinone4-Acetoxy-2-azetidinone4-乙酰氧基-2-氮杂环丁酮

IUPAC Traditional name

4-oxoazetidin-2-yl acetate

IUPAC name

4-oxoazetidin-2-yl acetate

CAS Number

PubChem SID

Beilstein Number

MDL Number

Storage Warning

IRRITANT

MSDS Link

Download link

TSCA Listed

false

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

P261-P280-P305+P351+P338-P310

UN 1759 8/PG 2

26-36/37/39-45

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

Physical Property

230 °F

110 °C

38-40 °C(lit.)

39-41 °C

No Data Available

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No Data Available

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Sigma Aldrich

272159

Packaging
1, 5 g in glass bottle
Application
Useful heterocyclic synthon1 for antibiotic2 and anti-inflammatory3 agents.

00810

Other Notes
Building block for the synthesis of β-substituted β-lactams; reaction with carbon nucleophiles1,2; Synthesis of ethers3

No Data Available

Click here to submit data

Academic Data

PubChem

119981

Synonyms

4-Acetoxy-2-azetidinone4-Acetoxy-2-azetidinone4-乙酰氧基-2-氮杂环丁酮

IUPAC Traditional name

4-oxoazetidin-2-yl acetate

IUPAC name

4-oxoazetidin-2-yl acetate

CAS Number

PubChem SID

Beilstein Number

MDL Number

272159

Packaging
1, 5 g in glass bottle
Application
Useful heterocyclic synthon1 for antibiotic2 and anti-inflammatory3 agents.

00810

Other Notes
Building block for the synthesis of β-substituted β-lactams; reaction with carbon nucleophiles1,2; Synthesis of ethers3

No Data Available

Click here to submit data

Safety Information

Product Information

Physical Property

230 °F

110 °C

38-40 °C(lit.)

39-41 °C

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Molecule

ID:68706