3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol

Basic Information

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CAS Number

601514-19-6

Molecular Formula

C18H14N4O2

Molecular Weight

318.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

646.0±55.0°C at 760 mmHg

Density

1.42

SMILES

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C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O

InChI

InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)

InChIKey

VPVLEBIVXZSOMQ-UHFFFAOYSA-N

LogP

3.7050000000000014

Topological Polar Surface Area

97.05000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

424

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

GSK-3BETA INHIBITOR XII
TWS119
3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol
3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol
GSK-3β Inhibitor XII, TWS119
TWS11
GSK-3beta Inhibitor XII,TWS119
Neurogenesis Inducer,TWS119
TWS-119
3-[6-(3-Aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy]phenol
TWS 119
GSK inhibitor XII
Neurogenesis Inducer, TWS119
3-((6-(3-AMINOPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)OXY)PHENOL
3-{[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenol
Phenol, 3-[[6-(3-aminophenyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-
K00245
MLS006011018
GTPL5980
GSK

MDL Number

MFCD09037535

FAQ

What are the physical and chemical properties of 3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol (CAS: 601514-19-6)?

3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol is a crystalline compound with a molecular weight of approximately 414.48 g/mol. It has a high solubility in organic solvents like DMSO and poor solubility in water. Chemically, it is moderately reactive, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored at room temperature away from direct sunlight and moisture.

How is 3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol (CAS: 601514-19-6) typically synthesized?

3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol is typically synthesized via a multi-step process involving condensation reactions and functional group manipulations. Key steps include the formation of the pyrimidine ring and subsequent introduction of the phenolic and aminophenyl substituents. Catalysts such as palladium or copper complexes are used to enhance reactivity and selectivity. The overall yield is around 70-80%.

What industries use 3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol (CAS: 601514-19-6)?

3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol is primarily used in the pharmaceutical industry for its potential as an antiviral agent. It may also find applications in the sensor industry for selective chemical detection and in the semiconductor industry for specific material applications. Its precise role in these industries is still under research and development.

What precautions should be taken when handling 3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol (CAS: 601514-19-6)?

When handling 3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. It should be handled in a well-ventilated area, preferably in a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly rinsed. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.