3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione

Basic Information

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CAS Number

871700-24-2

Molecular Formula

C18H15FIN3O4

Molecular Weight

483.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

518.2±60.0°C at 760 mmHg

SMILES

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O=C1N(C2=CC=C(I)C=C2F)C3=C(C(O)=C(C)C(N3C)=O)C(N1C4CC4)=O

InChI

InChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10/h3,6-7,10,24H,4-5H2,1-2H3

InChIKey

MHHFXMZMCYWCJQ-UHFFFAOYSA-N

LogP

1.9437200000000001

Topological Polar Surface Area

86.22999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

806

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
3H,8H)-trione
4,7(1H,3H,8H)-trione
MHHFXMZMCYWCJQ-UHFFFAOYSA-N
BCP14468
AK342731
3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,
3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
3-cyclopropyl-1-(2-fluor
CID 59717004
3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
AMY30034
WJB70024
F11735

MDL Number

MFCD18207185

FAQ

What are the physical and chemical properties of 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione (CAS: 871700-24-2)?

This compound is a crystalline solid with a high molecular weight and moderate solubility in polar solvents. It exhibits good thermal stability and low reactivity under normal conditions. The compound is not flammable but can undergo substitution reactions under certain conditions.

How is 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione (CAS: 871700-24-2) typically synthesized?

The compound is synthesized through a multi-step process involving aryl iodination, cyclopropylation, and pyrimidine ring formation. Commonly used catalysts include palladium complexes and base conditions such as sodium hydride. The reaction is selective and yields up to 80% purity.

What industries use 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione (CAS: 871700-24-2)?

This compound is primarily used in the pharmaceutical industry for its potential in developing new drugs. It is also explored for applications in polymer science and electronics, particularly in sensor development and semiconductor manufacturing.

What precautions should be taken when handling 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione (CAS: 871700-24-2)?

Handle this compound in a well-ventilated area or fume hood to avoid inhalation. Wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for more detailed safety information.