2-chloro-9-methyl-purin-6-amine

Basic Information

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CAS Number

7013-21-0

Molecular Formula

C6H6ClN5

Molecular Weight

183.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

315.6°C at 760 mmHg

Density

1.79±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CN1C=NC2=C(N=C(N=C21)Cl)N

InChI

InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)

InChIKey

XBMKMJLOOAHOKH-UHFFFAOYSA-N

LogP

0.5989

Topological Polar Surface Area

69.62 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

177

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

DTXSID70220410
W-203568
A914657
6-Amino-2-chloro-9-methylpurine
CHEMBL317398
BDBM50009702
CS-0151155
2-chloro-9-methyladenine
DS-5349
2-Chloro-9-methyl-9H-purin-6-ylamine
MFCD18433373
9H-Purin-6-amine,2-chloro-9-methyl
2-chloro-9-methylpurin-6-amine
AKOS006370683
2-Chloro-9-methyl-9H-purin-6-amine
SCHEMBL129921
9H-Purin-6-amine, 2-chloro-9-methyl-
7013-21-0
6-AMINO-2-CHLORO-9-METHYLPURINE
&nbsp
9H-purin-6-amine, 2-chloro-9-methyl-
2-Chloro-9-methyladenine
AK126966
FCH907156
AX8248757

MDL Number

MFCD18433373

FAQ

What are the physical and chemical properties of 2-chloro-9-methyl-purin-6-amine (CAS: 7013-21-0)?

2-Chloro-9-methyl-purin-6-amine (CAS: 7013-21-0) is a white to off-white crystalline solid. It has a molecular weight of approximately 266.04 g/mol. The compound is sparingly soluble in water and more soluble in organic solvents like methanol and ethanol. It demonstrates good stability under normal conditions but is sensitive to strong acids and bases. It does not react readily with common reagents but can undergo nucleophilic substitution reactions.

How is 2-chloro-9-methyl-purin-6-amine (CAS: 7013-21-0) typically synthesized?

2-Chloro-9-methyl-purin-6-amine is typically synthesized via the alkylation of 6-amino-9-chloropurine with methyl iodide. This reaction is conducted in the presence of a base such as potassium carbonate. The product undergoes selective substitution, yielding high yield and selectivity. The reaction is monitored by TLC or HPLC to ensure completion and purity.

What industries use 2-chloro-9-methyl-purin-6-amine (CAS: 7013-21-0)?

2-Chloro-9-methyl-purin-6-amine (CAS: 7013-21-0) is primarily used in the pharmaceutical industry for the development of antiviral drugs. It is also explored in sensor technology and as a precursor for the synthesis of other purine derivatives. Its applications in semiconductor materials and polymer science are less common but are areas of ongoing research.

What precautions should be taken when handling 2-chloro-9-methyl-purin-6-amine (CAS: 7013-21-0)?

When handling 2-chloro-9-methyl-purin-6-amine (CAS: 7013-21-0), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to prevent inhalation. In case of a spill, use appropriate spill cleanup materials and follow the safety data sheet (SDS) guidelines. Storage should be in a cool, dry place, away from strong acids and bases.