Tert-butyl 3-methyleneazetidine-1-carboxylate

Basic Information

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CAS Number

934664-41-2

Molecular Formula

C9H15NO2

Molecular Weight

169.22 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

Boiling Point

214.8±29.0°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C9H15NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h1,5-6H2,2-4H3

InChIKey

MECAHFSQQZQZOI-UHFFFAOYSA-N

LogP

1.7933

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

207

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

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

Synonyms & References

English

tert-Butyl 3-methyleneazetidine-1-carboxylate
3-Methylene-azetidine-1-carboxylic acid tert-butyl ester
1-Boc-3-methylideneazetid...
tert-butyl 3-methylideneazetidine-1-carboxylate
1-Boc-3-methylideneazetidine
1,1-DIMETHYLETHYL 3-METHYLIDENEAZETIDINE-1-CARBOXYLATE
MECAHFSQQZQZOI-UHFFFAOYSA-N
5860AC
PB19228
AM804576
AB1011612
AB0050474
tert-butyl 3-methylene-azetidine-1-carboxylate
3-Methyleneaze
1,1-Dimethylethyl 3-methylideneazetidine-1-carboxylate
CS-W022997
J-524559
ALBB-031201
SY046612
1-Boc-3-methyleneazetidine
TERT-BUTYL 3-METHYLENEAZETIDINE-1-CARBOXYLATE
MFCD12031229
tert-Butyl3-methyleneazetidine-1-carboxylate
DTXSID70717214
AKOS006316676
SS-4888
DB-371887
SCHEMBL1488353
EN300-155692
3-methylene-azetidine-1-carboxylic acid tert-butyl ester
B6011

MDL Number

MFCD12031229

FAQ

What regulatory guidelines apply to Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2)?

Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2) falls under the scope of several regulatory guidelines. Under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), it must be handled according to its hazards, which include flammability, reactivity, and health effects. For European manufacturers and importers, it is subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may require registration and reporting of this compound for specific applications.

Are there alternatives to Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2) in synthesis?

While Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2) is a useful intermediate in organic synthesis, there are alternatives such as tert-butyl azetidine-1-carboxylate or other azetidine derivatives. These alternatives can serve similar functions in various reactions, offering flexibility in synthetic routes. The choice of alternative often depends on the specific reaction conditions and desired properties of the final product.

What is the market or research trend for Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2)?

Research trends for Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2) reflect growing interest in its use as a versatile intermediate in pharmaceutical and fine chemical synthesis. Its role in the preparation of azetidines and other nitrogen-containing compounds continues to be explored. Market trends indicate increasing demand due to its application in drug discovery and development, with a focus on improving synthetic efficiency and reducing environmental impact.

How should waste containing Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2) be handled?

Waste containing Tert-butyl 3-methyleneazetidine-1-carboxylate (CAS: 934664-41-2) should be collected in appropriate containers and stored under conditions that prevent the release of hazardous vapors. Properly managed waste should be disposed of through a licensed hazardous waste disposal facility. Neutralization or incineration may be used depending on the local regulations and the volume of waste. Environmental protection measures include ensuring no discharge into water bodies and adherence to all local, national, and international environmental laws.