5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

Basic Information

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CAS Number

180160-47-8

Molecular Formula

C12H12ClNO2

Molecular Weight

237.69 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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c1cc2c(cc1Cl)C(=O)OC23CCNCC3

InChI

InChI=1S/C12H12ClNO2/c13-8-1-2-10-9(7-8)11(15)16-12(10)3-5-14-6-4-12/h1-2,7,14H,3-6H2

InChIKey

SIUBZWCKBKOZMD-UHFFFAOYSA-N

LogP

2.0891

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

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

5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
5-Chlorospiro[isobenzofuran-1(3H),4'-piperidin]-3-one
6-chlorospiro[2-benzofuran-3,4'-piperidine]-1-one
5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
LogP
spiro[isobenzofuran-1(3H),4'-piperidin]-3-one, 5-chloro-
5-CHLORO-3H-SPIRO[ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONE HCL

MDL Number

MFCD18711515

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8)?

5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8) is a colorless to white crystalline solid with a molecular weight of approximately 272.7 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetonitrile. It exhibits moderate reactivity, particularly in the presence of nucleophiles and electrophiles. The compound is stable under normal conditions but should be stored away from moisture and heat.

How is 5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8) typically synthesized?

5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8) is synthesized via an electrophilic aromatic substitution reaction, where a piperidin ring is introduced onto a benzofuran ring. Commonly, it involves the use of an appropriate piperidin derivative and a chlorination step to introduce the chlorine substituent. The synthesis typically yields a high purity product with good selectivity and moderate to high yield.

What industries use 5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8)?

5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8) is primarily used in the pharmaceutical industry for the development of various medications, particularly in anticancer and anti-inflammatory drugs. It also has applications in the polymer industry for its potential use in the synthesis of functional polymers with specific properties. Additionally, it is explored for use in sensor technologies and semiconductor materials due to its unique structural features.

What precautions should be taken when handling 5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8)?

5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one (CAS: 180160-47-8) should be handled in a well-ventilated area, preferably with a fume hood, due to its potential for inhalation hazards. Personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential to prevent skin contact and eye exposure. In the event of a spill, it should be handled according to the manufacturer's safety data sheet (SDS) guidelines. Storage should be in a cool, dry place away from direct sunlight and moisture.