1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea

Basic Information

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CAS Number

871700-18-4

Molecular Formula

C10H10FIN2O

Molecular Weight

320.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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O=C(NC1=CC=C(I)C=C1F)NC2CC2

InChI

InChI=1S/C10H10FIN2O/c11-8-5-6(12)1-4-9(8)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15)

InChIKey

GAJDOJAFIZOJMS-UHFFFAOYSA-N

LogP

2.714200000000001

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Synonyms & References

English

1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea

MDL Number

MFCD18207182

FAQ

What are the physical and chemical properties of 1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4)?

1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4) is a crystalline solid with a molecular weight of approximately 356.15 g/mol. It has a relatively low solubility in water but is soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). This compound is known for its reactivity towards nucleophiles and its ability to undergo substitution reactions. It is also stable under normal conditions but requires handling in a fume hood to avoid inhalation of fumes.

How is 1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4) typically synthesized?

1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4) can be synthesized via a multi-step process, typically involving the coupling of a fluoro-iodoarene with an amino-cyclopropyl urea derivative. The reaction is catalyzed by a palladium complex and proceeds under mild conditions. The yield is generally good, and the product is isolated by column chromatography. This synthesis is highly selective and produces the desired product with high purity.

What industries use 1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4)?

1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4) is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also has applications in the polymer industry, where it can be used as a catalyst or monomer. Additionally, it may be explored for its use in sensor development due to its reactivity and stability under certain conditions.

What precautions should be taken when handling 1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4)?

When handling 1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)urea (CAS: 871700-18-4), it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of fumes. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly washed down. The Safety Data Sheet (SDS) should be consulted for detailed information on handling and storage.