Ethyl 3-azetidinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

405090-31-5

Molecular Formula

C6H12ClNO2

Molecular Weight

165.62 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

SMILES

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O=C(C1CNC1)OCC.[H]Cl

InChI

InChI=1S/C6H11NO2.ClH/c1-2-9-6(8)5-3-7-4-5;/h5,7H,2-4H2,1H3;1H

InChIKey

RZQFZRLGHCCPGG-UHFFFAOYSA-N

LogP

0.19069999999999998

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

110

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

Ethyl azetidine-3-carboxylate hydrochloride
AZETIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Ethyl 3-azetidin-carboxylate HCl
ethyl azetidine-3-carboxylate HCl
3-Azetidinecarboxylic acid ethyl ester hydrochloride
azetidine-3-carboxylic acid ethyl ester hydrochloride
3-Azetidinecarboxylic acid, ethyl ester, hydrochloride
AZETIDINE-3-CARBOXYLIC ACID ETHYL ESTER-HCl
AMOT0235
RZQFZRLGHCCPGG-UHFFFAOYSA-N
ethyl 3-azetidinecarboxylate hydrochloride
OR317193
Ethylazetidine-3-

MDL Number

MFCD10687181

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl 3-azetidinecarboxylate hydrochloride (CAS: 405090-31-5)?

Ethyl 3-azetidinecarboxylate hydrochloride is a white crystalline solid with a molecular weight of 200.67 g/mol. It is soluble in water and ethanol. This compound is known for its mild acidity and good solubility in organic solvents. It is stable under normal conditions but may react with strong bases to form the parent compound. It is often used in organic synthesis and pharmaceutical applications.

How is Ethyl 3-azetidinecarboxylate hydrochloride (CAS: 405090-31-5) typically synthesized?

Ethyl 3-azetidinecarboxylate hydrochloride is typically synthesized by the reaction of ethyl 3-azetidinecarboxylate with hydrochloric acid. The reaction is conducted in a solvent such as methanol or ethanol. The product forms a 1:1 complex with hydrochloric acid. The reaction is mild, and the yield is generally high, making it a straightforward process.

What industries use Ethyl 3-azetidinecarboxylate hydrochloride (CAS: 405090-31-5)?

Ethyl 3-azetidinecarboxylate hydrochloride is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of drugs. It is also used in the polymer industry as a stabilizer and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Ethyl 3-azetidinecarboxylate hydrochloride (CAS: 405090-31-5)?

When handling Ethyl 3-azetidinecarboxylate hydrochloride, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly washed with water. Safety data sheets (SDS) should be consulted for detailed information on handling and disposal.