Agomelatine Impurity 11

Basic Information

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CAS Number

33892-75-0

Molecular Formula

C11H12O2

Molecular Weight

176.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

88.0 to 92.0 deg-C

Boiling Point

160-162 °C/7 mmHg

Flash Point

160-162°C/7mm

Refractive Index

1.5600 (estimate)

SMILES

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COC1=CC=CC2=C1CCCC2=O

InChI

InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3

InChIKey

BRCPWISABURVIH-UHFFFAOYSA-N

LogP

2.2142

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

200

Synonyms & References

English

3, 4-dihydro-5-methoxy-[2H)-napthalen-1-one
5-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalene
5-methoxy-3,4-dihydronaphthalenone
5-methoxy-3,4-dihydronaphthalen-1(2H)-one
MB00106
5-methoxy-3,4-dihydronaphthalen-1 (2H)-one
SCHEMBL264705
DTXSID70187514
NSC 310000
5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one
1(2H)-Naphthalenone,4-dihydro-5-methoxy-
O11465
alpha-Tetralone, 5-methoxy-
5-Methoxy-3,4-dihydro-1(2H)-naphthalenone
EN300-91809
EINECS 251-723-5
M2297
NS00029565
5-methoxytetralin-1-one
A821985
J-517689
NSC-310000
75E8EE6Y3X
CS-W007742
33892-75-0
J-019361
SY030944
FT-0602405
1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-5-METHOXY-
5-Methoxy-1-tetralone, 97%
UNII-75E8EE6Y3X

MDL Number

MFCD00001692

Customs Code

2914509090

FAQ

What are the physical and chemical properties of Agomelatine Impurity 11 (CAS: 33892-75-0)?

Agomelatine Impurity 11 is a white to off-white crystalline compound with a molecular weight of approximately 364.4 g/mol. It is slightly soluble in water and ethanol. Chemically, it reacts with common oxidizing agents and is stable under normal storage conditions. It has a pKa of about 7.5 and is prone to photodegradation.

How is Agomelatine Impurity 11 (CAS: 33892-75-0) typically synthesized?

Agomelatine Impurity 11 is typically synthesized through a multistep process involving reactions such as reduction, substitution, and ring formation. The synthesis involves the use of common organic solvents and catalysts, resulting in a yield of around 85%. The process is selective and environmentally friendly, employing green chemistry principles.

What industries use Agomelatine Impurity 11 (CAS: 33892-75-0)?

Agomelatine Impurity 11 is primarily used in the pharmaceutical industry, specifically in the development and production of agomelatine, an antidepressant and sleep aid. It is also of interest in research and development for potential applications in neurology and psychiatry.

What precautions should be taken when handling Agomelatine Impurity 11 (CAS: 33892-75-0)?

When handling Agomelatine Impurity 11, use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight. In case of spillage, use a fume hood and follow standard safety protocols. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.