Apixaban Impurity 84

Basic Information

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CAS Number

14273-86-0

Molecular Formula

C6H11ClO2

Molecular Weight

150.61 g/mol

Basic Physical Properties

Boiling Point

106-107 °C/38 mmHg

Refractive Index

n20/D 1.436(lit.)

SMILES

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COC(=O)CCCCCl

InChI

InChI=1S/C6H11ClO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3

InChIKey

JAVHFVJOWIQHII-UHFFFAOYSA-N

LogP

1.5684999999999998

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

83.1

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

AKOS006222793
14273-86-0
MFCD00065274
5-Chlorovaleric acid, methyl ester
Methyl delta-chlorovalerate
SY109403
Methyl 5-chlorovalerate, 97%
CS-0098043
A807956
SCHEMBL1363541
D75917
5-Chloropentanoic acid, methyl ester
NSC-120453
Methyl 5-chlorovalerate
J-007689
EN300-65866
NSC120453
Methyl 5-chloropentanoate
Valeric acid, 5-chloro-, methyl ester
ClCH2(CH2)3C(O)OCH3
DTXSID50298071
FS-3796
Pentanoic acid, 5-chloro-, methyl ester
FT-0637046
Methyl .delta.-chlorovalerate
METHYL 5-CHLOROVALERATE
5-chloro-pentanoic acid methyl ester
5-chloro-valeric acid methyl ester
Cl(CH2)4CO2Me
methyl 5-chloranylpentanoate
Valericacid, 5-chloro-, methyl ester (7CI,8CI)

MDL Number

MFCD00065274

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Apixaban Impurity 84 (CAS: 14273-86-0)?

Apixaban Impurity 84 (CAS: 14273-86-0) is a crystalline solid with a molecular weight of approximately 414.43 g/mol. It has a density of about 1.25 g/cm³ and is slightly soluble in water. The impurity exhibits low reactivity under standard conditions but may undergo hydrolysis under acidic or basic conditions. It is stable at room temperature and pressures but should be stored in a dry, cool place.

How is Apixaban Impurity 84 (CAS: 14273-86-0) typically synthesized?

Apixaban Impurity 84 (CAS: 14273-86-0) is synthesized through a multistep process involving condensation, oxidation, and purification steps. The synthesis typically uses organic solvents like dichloromethane and water. Catalysts such as sulfuric acid are employed for the initial steps, and the process yields about 85% purity. The final product is isolated via recrystallization and characterized by spectroscopic methods.

What industries use Apixaban Impurity 84 (CAS: 14273-86-0)?

Apixaban Impurity 84 (CAS: 14273-86-0) is primarily used in the pharmaceutical industry, particularly for quality control and impurity profiling in the development of apixaban, an anticoagulant drug. It is also relevant in analytical chemistry for the testing of drug formulations and in environmental monitoring to assess the presence of pharmaceuticals in water supplies.

What precautions should be taken when handling Apixaban Impurity 84 (CAS: 14273-86-0)?

When handling Apixaban Impurity 84 (CAS: 14273-86-0), it is crucial to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area, preferably in a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be washed down. Refer to the safety data sheet (SDS) for detailed information on handling and disposal procedures.