Alogliptin Impurity 3

Basic Information

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CAS Number

56700-70-0

Molecular Formula

C10H14N2O2

Molecular Weight

194.23 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

116-120 °C

Boiling Point

252.743 °C at 760 mmHg

Density

1.131

Flash Point

252.743 °C at 760 mmHg

Refractive Index

1.544

SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13)

InChIKey

WKHGDPZRLXDVMJ-UHFFFAOYSA-N

LogP

2.4286000000000003

Topological Polar Surface Area

51.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

199

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

tert-Butyl pyridin-3-ylcarbamate
CS-M1308
3-(t-butyloxycarbonyl)amino pyridine
A831148
3-tert-Butoxycarbonylaminopyridine
tert-butyl N-(3-pyridyl)carbamate
3-(Boc-amino)-pyridine
TERT-BUTYL N-(PYRIDIN-3-YL)CARBAMATE
tert-Butyl pyridin-3-ylcarbamate;3-tert-Butoxycarbonylaminopyridine
3-(t-butoxycarbonylamino)pyridine
3-(Boc-amino)pyridine, 97%
tert-butyl 3-pyridinylcarbamate
tert-butyl N-(3-pyridyl)carbamate;3-(Boc-amino)pyridine
WKHGDPZRLXDVMJ-UHFFFAOYSA-N
FT-0646341
SY006287
3-(tert-butoxycarbonylamino)pyridine
(pyridin-3-yl)-carbamic acid tert-butyl ester
J-510820
AKOS013153306
tert-Butyl (pyridin-3-yl)carbamate
3-(Boc-amino)pyridine
AC-5745
PYRIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER
3-Boc-aMinopyridine
tert-Butylpyridin-3-ylcarbamate
MFCD02179231
t-butyl pyridine-3-ylcarbamate
56700-70-0
AMY32298
AC-27334

MDL Number

MFCD02179231

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Alogliptin Impurity 3 (CAS: 56700-70-0)?

Alogliptin Impurity 3 is a crystalline solid with a molecular weight of approximately 368.41 g/mol. It has a solubility of about 10 mg/mL in water and is less soluble in organic solvents. Chemically, it is less reactive compared to the primary compound, Alogliptin, showing moderate reactivity under basic conditions.

How is Alogliptin Impurity 3 (CAS: 56700-70-0) typically synthesized?

Alogliptin Impurity 3 is typically synthesized through a multi-step process involving key reactions such as halogenation, nucleophilic substitution, and condensation. The synthesis often employs catalysts like palladium and requires precise control over conditions to achieve high yield and selectivity.

What industries use Alogliptin Impurity 3 (CAS: 56700-70-0)?

Alogliptin Impurity 3 is primarily used in the pharmaceutical industry, specifically in quality control and impurity profiling of Alogliptin-containing medications. It may also have limited use in research related to drug metabolism and pharmacokinetics.

What precautions should be taken when handling Alogliptin Impurity 3 (CAS: 56700-70-0)?

When handling Alogliptin Impurity 3, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up with caution using appropriate materials and procedures as outlined in the safety data sheet (SDS).