Aripiprazole Impurity 1

Basic Information

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CAS Number

120004-79-7

Molecular Formula

C13H16ClNO2

Molecular Weight

253.73 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Boiling Point

448.925°C at 760 mmHg

SMILES

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C1CC(=O)NC2=C1C=CC(=C2)OCCCCCl

InChI

InChI=1S/C13H16ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)

InChIKey

SRMLSNBGMDJSJH-UHFFFAOYSA-N

LogP

2.969100000000001

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

260

Synonyms & References

English

CS-0036678
SCHEMBL238817
7-(4-chlorobutoxy)-3,4-dihydro-1H-quinolin-2-one
120004-79-7
AKOS015901402
7-(4-chloranylbutoxy)-3,4-dihydro-1H-quinolin-2-one
7-(4-chloro butoxy)-3,4-dihydrocarbostyril
W14961
3,4-dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone
7-(4-chlorobutoxy)-3,4-dihydro-(1H)-quinolinone
7-(4-Chloro-butoxy)-3,4-dihydro-1H-quinolin-2-one
2(1H)-Quinolinone, 7-(4-chlorobutoxy)-3,4-dihydro-
7-(4-Chlorobutoxy)-3,4-dihydroquinolin-2(1H)-one
Aripiprazole Impurity E
N46D6QRE5G
AS-68439
7-(4-chlorobutoxy)-1,2,3,4-tetrahydroquinolin-2-one
SY123484
DTXSID70440419
7-(4-Chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone; 7-(4-Chlorobutoxy)-3,4-dihydrocarbostyril
Chlorobutoxy dihydroquinolinone
A804407
3,4-Dihydro-7-(4-chlorobutoxy)-2(1H)-quinolinone;7-(4-Chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone
7-(4-Chlorobutoxy)-3,4-dihydro C2(1H)-quinolinone
AC-8059
7-(4-chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone
AM20090767
MFCD07787529
FT-0655809
SRMLSNBGMDJSJH-UHFFFAOYSA-N
EN300-1659328

MDL Number

MFCD07787529

Customs Code

2933790090

FAQ

What are the physical and chemical properties of Aripiprazole Impurity 1 (CAS: 120004-79-7)?

Aripiprazole Impurity 1 is a white to off-white solid with a molecular weight of approximately 349.4 g/mol. It has a melting point of around 115-118°C. This impurity is slightly soluble in water and has low solubility in common organic solvents like methanol and acetonitrile. It is stable under normal storage conditions but may react with strong oxidizers. Precise solubility and reactivity data are necessary for proper handling in chemical processes.

How is Aripiprazole Impurity 1 (CAS: 120004-79-7) typically synthesized?

Aripiprazole Impurity 1 is typically synthesized through a series of steps involving reactions such as amide formation, reduction, and cyclization. Catalysts like palladium and bases like potassium carbonate are often used. The synthesis involves multiple steps and requires careful temperature control to ensure selectivity and yield, typically around 80-90%. Detailed reaction conditions and purification methods are essential for obtaining high-purity impurity samples.

What industries use Aripiprazole Impurity 1 (CAS: 120004-79-7)?

Aripiprazole Impurity 1 is primarily used in the pharmaceutical industry as an intermediate in the synthesis of the antipsychotic drug aripiprazole. It is also of interest in research for its potential use as a reference material in quality control processes. Some related industries that may use this impurity include chemical research and development labs, and contract manufacturing organizations (CMOs) involved in the production of pharmaceuticals.

What precautions should be taken when handling Aripiprazole Impurity 1 (CAS: 120004-79-7)?

When handling Aripiprazole Impurity 1 (CAS: 120004-79-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Ensure that all handling takes place in a well-ventilated area or a fume hood to prevent inhalation of dust. Use appropriate spill containment materials and follow proper disposal procedures as outlined in the Safety Data Sheet (SDS). Always refer to the latest SDS for specific handling and storage guidelines.