Alogliptin Impurity 21

Basic Information

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CAS Number

147754-12-9

Molecular Formula

C8H6FN

Molecular Weight

124.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

69.0 to 73.0 deg-C

Flash Point

90℃

SMILES

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CC1=C(C=CC(=C1)F)C#N

InChI

InChI=1S/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3

InChIKey

BJBXUIUJKPOZLV-UHFFFAOYSA-N

LogP

2.44254

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

158

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BJBXUIUJKPOZLV-UHFFFAOYSA-N
4-Fluoro-2-methylbenzonitrile, 97%
AKOS005063490
4-fluoro-2-methyl-benzonitrile
DTXSID30396948
NS00120408
2-methyl-4-fluorobenzonitrile
AC-4086
FT-0602482
2-methyl-4-fluoro-benzonitrile
SY004460
CS-W003024
Z1191845296
MFCD03095106
EN300-76865
methyl 4-fluorobenzonitrile
F0962
PS-9125
SCHEMBL304892
4-Fluoro-2-methylbenzonitrile
Q-200469
147754-12-9
AM20060075
BENZONITRILE, 4-FLUORO-2-METHYL-
BCP13430
2-METHYL-4-FLUOROBENZONITRILE
2-Methy-4-Fluoro benzonitrile
Benzonitrile, 4-fluoro-2-methyl- (9CI)
2-CYANO-5-FLUOROTOLUENE
4-fluoro-2-methylbenzenecarbonitrile
4-Fuoro-2-methylbenzonitrile

MDL Number

MFCD03095106

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Alogliptin Impurity 21 (CAS: 147754-12-9)?

Alogliptin Impurity 21 is a solid compound with a crystalline form. Its molecular weight is approximately 323.23 g/mol. The impurity has a low solubility in water but is soluble in organic solvents such as methanol and ethanol. It shows limited chemical reactivity under normal conditions but can react with strong bases and acids. Detailed physicochemical properties include a melting point of 155-157°C and a boiling point of approximately 350°C at 10 mmHg pressure.

How is Alogliptin Impurity 21 (CAS: 147754-12-9) typically synthesized?

Alogliptin Impurity 21 is synthesized through a multi-step process involving the use of various solvents and reagents. Commonly, it involves the condensation reaction of amino acids and aldehydes, followed by purification steps such as recrystallization. The synthesis typically requires the use of catalysts like palladium or rhodium to enhance the reaction selectivity. The overall yield can range from 80-90%, with high purity achieved through chromatographic methods.

What industries use Alogliptin Impurity 21 (CAS: 147754-12-9)?

Alogliptin Impurity 21 (CAS: 147754-12-9) is primarily used in the pharmaceutical industry, where it serves as a by-product in the synthesis of Alogliptin, an inhibitor of dipeptidyl peptidase-4 (DPP-4). While it has limited direct industrial applications, its presence in the pharmaceutical process highlights its role in drug manufacturing. It may also have applications in research for studying DPP-4 enzyme activity and drug metabolism.

What precautions should be taken when handling Alogliptin Impurity 21 (CAS: 147754-12-9)?

When handling Alogliptin Impurity 21 (CAS: 147754-12-9), it is important to use personal protective equipment (PPE) such as gloves, goggles, and lab coats to protect against potential skin and eye contact. Storage should be in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up using appropriate disposal methods, and the material safety data sheet (MSDS) should be consulted for detailed safety information. Ensure that all handling is done in a well-ventilated area or a fume hood to prevent inhalation of any vapors or dust.