Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate

Basic Information

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CAS Number

163521-20-8

Molecular Formula

C15H18N2O3

Molecular Weight

274.32 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

146-148°C

Boiling Point

429℃/760mmHg

SMILES

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O=C(OCC)c2oc1ccc(cc1c2)N3CCNCC3

InChI

InChI=1S/C15H18N2O3/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17/h3-4,9-10,16H,2,5-8H2,1H3

InChIKey

ZKLDXJIVWKPASZ-UHFFFAOYSA-N

LogP

2.0191

Topological Polar Surface Area

54.71 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

344

Safety Information

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Hazard Statement

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 5-(piperazin-1-yl)benzofuran-2-carboxylate
1-(2-Ethoxycarbonylbenzofuran-5-yl)piperazine
5-(1-Piperazinyl)-2-benzofurancarboxylic Acid Ethyl Ester
5-(1-piperazinyl)benzofuran-2-carboxylic acid ethyl ester
5-Piperazin-1-yl-benzofuran-2-carboxylic acid ethyl ester
ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate
Vilazodone Key interMediates
Eehyl 5-(piperazin-1-yl)benzofuran-2-carboxylate
2-Benzofurancarboxylic acid,5-(1-piperazinyl)-,ethyl ester
Ethyl 5-(1-Piperazinyl)benzofuran-2-carboxylate
ethyl5-(piperazin-1-yl)benzofuran-2-carboxylate
ZKLDXJIVWKPASZ-UHFFFAOYSA-N
BCP07735
VZ32157
SY024791
AX8236567
Ethyl 5-(piperazin-1-yl)-1-benzofuran-2-carboxylate

MDL Number

MFCD18252307

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8)?

Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8) falls under the regulatory purview of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which requires appropriate hazard communication including labels and safety data sheets. In Europe, it must comply with REACH regulations, which require registration, evaluation, and authorization for certain substances. For FDA and EPA, this compound would need to adhere to specific toxicological and environmental safety standards, including limits on the use of hazardous substances in consumer products and environmental releases.

Are there alternatives to Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8) in synthesis?

Alternatives to Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8) in synthesis include analogous benzofuran derivatives with different functional groups. Other substitutes might involve using different carboxylic acids, piperazine analogs, or alternative heterocyclic compounds that can serve similar functional roles in organic synthesis. These alternatives often depend on the specific application and the desired properties of the final product.

What is the market or research trend for Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8)?

The market for Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8) is nascent but growing, driven by its potential applications in pharmaceuticals and agrochemicals. Research trends indicate increasing interest in its use as a precursor for drug discovery and as a bioactive compound. Market dynamics suggest a focus on sustainable synthesis methods and reducing environmental impact, which are becoming key factors in material selection.

How should waste containing Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8) be handled?

Waste containing Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate (CAS: 163521-20-8) should be collected in a sealed container and disposed of through a registered hazardous waste management facility. Incineration is a common method of disposal, provided it meets the necessary emission standards. Environmental precautions include proper labeling and handling to prevent contamination. Regulatory requirements must be followed, ensuring compliance with local and international waste management guidelines.