Aripiprazole Impurity 31 (2,6-quinolinediol)

Basic Information

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CAS Number

19315-93-6

Molecular Formula

C9H7NO2

Molecular Weight

161.16 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

Basic Physical Properties

Melting Point

>300 °C

Density

1.3370

SMILES

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C1=CC2=C(C=CC(=O)N2)C=C1O

InChI

InChI=1S/C9H7NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h1-5,11H,(H,10,12)

InChIKey

AQLYZDRHNHZHIS-UHFFFAOYSA-N

LogP

1.646

Topological Polar Surface Area

53.35000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

225

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

AB16464
6-hydroxy-2-oxo-1,2-dihydroquinoline
AM803442
AC-9606
6-hydroxyquinoline-2-one
CS-W002582
Q-101446
quinoline-2,6-diol
DTXSID70940989
6-hydroxy-2(h)-quinolinone, AldrichCPR
2,6-dihydroxyquinoline
2,6-Quinolinediol
6-HYDROXYCARBOSTYRIL
CHEBI:48490
FS-3257
GS-3246
AKOS006228259
6-hydroxy-1H-quinoline-2-one
A855298
6-hydroxy-carbostyril
MFCD00239446
SCHEMBL1060994
AKOS015856543
6-hydroxy-2-quinolone
9JPS252FZW
quinoline2,6-diol
CHEBI:48996
FT-0610764
2(1H)-Quinolinone, 6-hydroxy-
6-hydroxy-1H-quinolin-2-one
6-Hydroxyquinolin-2-one

MDL Number

MFCD03840564

Customs Code

2933499090

FAQ

What are the physical and chemical properties of Aripiprazole Impurity 31 (CAS: 19315-93-6)?

Aripiprazole Impurity 31, also known as 2,6-quinolinediol, is a crystalline compound with a molecular weight of approximately 142.18 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and methanol. Chemically, it is a relatively stable compound under normal conditions but can react with strong acids or bases. It is important to handle it under controlled conditions to avoid degradation.

How is Aripiprazole Impurity 31 (CAS: 19315-93-6) typically synthesized?

Aripiprazole Impurity 31 is synthesized through the reduction of 1,2-dihydro-2,6-dimethyl-3-(1,3-dioxoisoindolin-2-yl) quinoline with a hydrogenation catalyst such as palladium on carbon. The reaction typically requires high purity starting materials and is conducted in an inert atmosphere to prevent oxidation. The yield is usually around 85-90%, and the process is optimized for selectivity and purity.

What industries use Aripiprazole Impurity 31 (CAS: 19315-93-6)?

Aripiprazole Impurity 31 is primarily used in the pharmaceutical industry as a by-product or impurity in the synthesis of the active pharmaceutical ingredient Aripiprazole. It is also of interest in research for its pharmacological properties and potential in drug discovery. Limited applications in other industries such as polymers or sensors are found but are not as prominent.

What precautions should be taken when handling Aripiprazole Impurity 31 (CAS: 19315-93-6)?

When handling Aripiprazole Impurity 31, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.