3-Iodoquinolin-2(1H)-one

Basic Information

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CAS Number

335649-85-9

Molecular Formula

C9H6INO

Molecular Weight

271.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC=C2C(=C1)C=C(C(=O)N2)I

InChI

InChI=1S/C9H6INO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,(H,11,12)

InChIKey

ISNNDFAXILDTNJ-UHFFFAOYSA-N

LogP

2.1327

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

237

Synonyms & References

English

3-Iodoquinolin-2(1H)-one
3-iodo-1H-quinolin-2-one
3-iodo-2-quinolinone
AK127017
CTK1B8330
KB-236413
SureCN1394237
SureCN5618416
3-iodo-quinolone
SB71010
CS-0437280
DTXSID10465186
335649-85-9
iodo-hydroxyquinoline
3-Iodoquinolin-2-ol
MFCD26793524
G72541
ISNNDFAXILDTNJ-UHFFFAOYSA-N
DA-06729
SCHEMBL1394237

MDL Number

MFCD26793524

FAQ

What are the physical and chemical properties of 3-Iodoquinolin-2(1H)-one (CAS: 335649-85-9)?

3-Iodoquinolin-2(1H)-one (CAS: 335649-85-9) is a crystalline solid with a molecular weight of approximately 266.04 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents. It does not decompose under normal storage conditions but may undergo hydrolysis with strong acids or bases.

How is 3-Iodoquinolin-2(1H)-one (CAS: 335649-85-9) typically synthesized?

3-Iodoquinolin-2(1H)-one can be synthesized by the iodination of quinolin-2(1H)-one using N-chlorosuccinimide (NCS) as an oxidant. The reaction typically occurs in dichloromethane or another suitable solvent, yielding a high selectivity and good overall yield. The reaction is sensitive to temperature and must be carried out under anhydrous conditions to avoid side reactions.

What industries use 3-Iodoquinolin-2(1H)-one (CAS: 335649-85-9)?

3-Iodoquinolin-2(1H)-one (CAS: 335649-85-9) is primarily used in pharmaceutical research for developing new drugs due to its unique chemical structure. It also has potential applications in the synthesis of certain polymers and as a precursor in the production of sensors and semiconductors.

What precautions should be taken when handling 3-Iodoquinolin-2(1H)-one (CAS: 335649-85-9)?

When handling 3-Iodoquinolin-2(1H)-one (CAS: 335649-85-9), always use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to vapors. Store the compound in a cool, dry place away from incompatible materials. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.