Benzyl 3-oxo-1-azetidinecarboxylate

Basic Information

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CAS Number

105258-93-3

Molecular Formula

C11H11NO3

Molecular Weight

205.21 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

44-47°C

SMILES

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O=C(OCc1ccccc1)N2CC(=O)C2

InChI

InChI=1S/C11H11NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2

InChIKey

VLMMTGKGDOAYER-UHFFFAOYSA-N

LogP

1.2079000000000002

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

251

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Benzyl 3-oxoazetidine-1-carboxylate
N-CBZ-3-OXOAZETIDINE
1-Cbz-3-azetidinone
3-Oxo-azetidine-1-carboxylic acid benzyl ester
1-(Benzyloxycarbonyl)azetidin-3-one
3-Oxoazetidine-1-carboxylic acid benzyl ester
1-AZETIDINECARBOXYLIC ACID, 3-OXO-, PHENYLMETHYL ESTER
PubChem19679
N-Cbz- 3-oxoazetidine
1-N-Cbz-3-azetidinone
VLMMTGKGDOAYER-UHFFFAOYSA-N
HT859
Benzyl 3-oxo-1-azetidinecarboxylate
PB13124
phenylmethyl 3-oxoazetidine-1-carboxylate
AB0034573
ST1010022
benzyl 3-oxoazetidine-1-carboxylate

MDL Number

MFCD09954923

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Benzyl 3-oxo-1-azetidinecarboxylate (CAS: 105258-93-3)?

Benzyl 3-oxo-1-azetidinecarboxylate (CAS: 105258-93-3) falls under the scope of regulations such as the Globally Harmonized System (GHS) for classification and labeling of chemicals, REACH regulations in the EU, and FDA/EPA requirements in the United States. Industries must ensure compliance with these regulations, including proper handling, storage, and disposal methods.

Are there alternatives to Benzyl 3-oxo-1-azetidinecarboxylate (CAS: 105258-93-3) in synthesis?

Yes, there are alternative reagents that can be used in the synthesis of similar compounds. For example, benzyl 2-oxo-1-azetidinecarboxylate or other related azetidine derivatives can serve as alternatives. These alternatives can offer similar functionalities while potentially providing better synthetic utility or environmental benefits.

What is the market or research trend for Benzyl 3-oxo-1-azetidinecarboxylate (CAS: 105258-93-3)?

The market for Benzyl 3-oxo-1-azetidinecarboxylate (CAS: 105258-93-3) is currently growing due to its use in pharmaceuticals and agrochemicals. Research trends are focusing on its applications in drug development, particularly in the synthesis of biologically active molecules. Price trends indicate steady demand, but ongoing research may lead to new applications and increased market interest.

How should waste containing Benzyl 3-oxo-1-azetidinecarboxylate (CAS: 105258-93-3) be handled?

Waste containing Benzyl 3-oxo-1-azetidinecarboxylate (CAS: 105258-93-3) should be collected in appropriate containers and handled according to local and international regulations. Incineration or professional waste disposal services should be used for safe disposal. Environmental protection precautions include minimizing the release of harmful substances and ensuring proper containment to prevent contamination of soil and water.