Atorvastatin Impurity 56

Basic Information

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CAS Number

124401-38-3

Molecular Formula

C12H15NO2

Molecular Weight

205.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

48-52°C

Boiling Point

384.4°C at 760 mmHg

Flash Point

159 ºC

SMILES

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CC(C)C(=O)CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H15NO2/c1-9(2)11(14)8-12(15)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)

InChIKey

ADHRFDCBLJVNFO-UHFFFAOYSA-N

LogP

2.31330

Complexity

230

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

Synonyms & References

English

AC-5343
TBE22EDS49
J-515743
4-methyl-3-oxo-N-phenyl pentanamide
124401-38-3
A805229
4-methyl-N-phenyl-3-oxopentanamide
SY004942
BCP21270
4-Methyl-3-oxopentanoic acid phenylamide
FT-0643027
AKOS015890660
J-005073
MFCD00137795
4-Methyl-3-oxo-N-phenylpentanamide; 4-Methyl-3-oxopentanoic acid anilide; 4-Methyl-3-oxopentanoic acid phenylamide; N-Phenyl-4-methyl-3-oxopentanamide; N-Phenyl Isobutyrylacetamide
4-methyl-3-oxidanylidene-N-phenyl-pentanamide
DTXSID70436892
4-methyl-3-oxo-N-phenyl- Pentana
N-Phenyl Isobutyrylacetamide
N-Phenyl-4-methyl-3-oxopentanamide
AS-15668
N-Phenyl-isobutyloylacetamide
SCHEMBL925581
4-methyl-3-oxo-N-phenylpentanamide
Pentanamide, 4-methyl-3-oxo-N-phenyl-
CS-W002417
(2-TRIFLUOROMETHYL-1,3DIOXOLAN-2-YL)-ACETICACID
4-methyl-3-oxo-N-phenyl- Pentanamide
SB77896
4-methyl-3-oxo-N-phenyl-pentanamide
ADHRFDCBLJVNFO-UHFFFAOYSA-N

MDL Number

MFCD00137795

Customs Code

2925190090

FAQ

What are the physical and chemical properties of Atorvastatin Impurity 56 (CAS: 124401-38-3)?

Atorvastatin Impurity 56 (CAS: 124401-38-3) is a white to off-white crystalline powder with a molecular weight of approximately 566.65 g/mol. It has low solubility in water and is soluble in organic solvents like methanol and acetone. Chemically, it is reactive towards nucleophiles and undergoes hydrogenation and reduction reactions easily.

How is Atorvastatin Impurity 56 (CAS: 124401-38-3) typically synthesized?

Atorvastatin Impurity 56 (CAS: 124401-38-3) is synthesized through a multi-step process involving the reduction of a ketone to an alcohol, followed by various hydrogenation and reduction steps. Common catalysts include palladium on carbon and hydrogen gas, with high selectivity and yield in the range of 80-90%.

What industries use Atorvastatin Impurity 56 (CAS: 124401-38-3)?

Atorvastatin Impurity 56 (CAS: 124401-38-3) is primarily used in the pharmaceutical industry, specifically in the formulation of atorvastatin, a cholesterol-lowering drug. It is not used in polymers, sensors, or semiconductors.

What precautions should be taken when handling Atorvastatin Impurity 56 (CAS: 124401-38-3)?

When handling Atorvastatin Impurity 56 (CAS: 124401-38-3), wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Store at room temperature away from heat and direct sunlight. In case of a spill, use appropriate containment materials and refer to the Safety Data Sheet (SDS) for specific cleanup procedures.