Alogliptin Impurity 5

Basic Information

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CAS Number

216854-23-8

Molecular Formula

C10H20N2O2

Molecular Weight

200.28 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

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

118.0 to 125.0 deg-C

Boiling Point

304.8℃ at 760 mmHg

Density

1.02

Flash Point

138.2℃

Solubility

Freely soluble in ethanol.

Refractive Index

1.479

Specific Rotation

-3º(C=1,DMF)

SMILES

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CC(C)(C)OC(=O)N[C@H]1CCCNC1

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1

InChIKey

WUOQXNWMYLFAHT-QMMMGPOBSA-N

LogP

1.2631

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

199

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(S)-3-N-Boc-aminopiperidine
(S)-TERT-BUTYL-PIPERIDIN-3-YLCARBAMATE
(S)-PIPERIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER
(S)-(-)-3-TERT-BUTOXYCARBONYLAMINOPIPERIDINE
(S)-3-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE
(S)-3-BOC-AMINOPIPERIDINE
CARBAMIC ACID, (3S)-3-PIPERIDINYL-, 1,1-DIMETHYLETHYL ESTER
Carbamic acid, (3S)-3-piperidinyl-, 1,1-dimethylethyl ester (9CI)
S-3-(Boc-amino)piperidine
(S)-3-(Boc-amino)piperidine
(S)-3-N-Boc-amipiperidine
(S)-tert-Butyl piperidin-3-ylcarbamate
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
(S)-3-(tert-Butoxycarbonylamino)piperidine
tert-butyl N-[(3S)-3-piperidyl]carbamate
tert-butyl (S)-piperidin-3-ylcarbamate

MDL Number

MFCD03093383

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Alogliptin Impurity 5 (CAS: 216854-23-8)?

Alogliptin Impurity 5 is a crystalline solid with a molecular weight of approximately 308.31 g/mol. It is slightly soluble in water and ethanol. Chemically, it is less reactive compared to the active compound alogliptin, showing moderate stability under normal storage conditions but requires protection from light and moisture to prevent degradation.

How is Alogliptin Impurity 5 (CAS: 216854-23-8) typically synthesized?

Alogliptin Impurity 5 is synthesized via a multi-step process that includes condensation, reduction, and purification steps. Common catalysts include palladium and copper complexes. The synthesis typically yields around 80-85% purity, with selectivity towards the desired impurity profile.

What industries use Alogliptin Impurity 5 (CAS: 216854-23-8)?

Alogliptin Impurity 5 is primarily used in the pharmaceutical industry for research purposes, particularly in the development and quality control of alogliptin-based drugs. It is also of interest in analytical chemistry for impurity profiling and in environmental monitoring for trace detection.

What precautions should be taken when handling Alogliptin Impurity 5 (CAS: 216854-23-8)?

When handling Alogliptin Impurity 5, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions.