Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate

Basic Information

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CAS Number

881674-06-2

Molecular Formula

C13H12FNO2

Molecular Weight

233.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.217±0.06 g/cm3 (20 ºC 760 Torr)

SMILES

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CCOC(=O)C1=CNC(=C1)C2=CC=CC=C2F

InChI

InChI=1S/C13H12FNO2/c1-2-17-13(16)9-7-12(15-8-9)10-5-3-4-6-11(10)14/h3-8,15H,2H2,1H3

InChIKey

KXQMTNMMOMBDLC-UHFFFAOYSA-N

LogP

2.9975000000000014

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

272

Synonyms & References

English

1H-Pyrrole-3-carboxylic acid, 5-(2-fluorophenyl)-, ethyl ester
ETHYL 5-(2-FLUOROPHENYL)-1H-PYRROLE-3-CARBOXYLATE
5-(2-Fluorophenyl)-1H-pyrrole-3-carboxylic acid ethyl ester
Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (ACI)
881674-06-2
T5E449BZ58
E72628
KXQMTNMMOMBDLC-UHFFFAOYSA-N
Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate
SB18160
SY346769
DB-124900
MFCD11875840
Ethyl5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate
SCHEMBL1156246

MDL Number

MFCD11875840

FAQ

What are the physical and chemical properties of Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2)?

Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2) is a crystalline compound with a molecular weight of approximately 224.21 g/mol. It has a solubility in water of about 3 g/L. This compound exhibits good reactivity, particularly with nucleophiles, and is often used in organic synthesis. It is stable under normal conditions but should be stored in a cool, dry place away from strong oxidizing agents.

How is Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2) typically synthesized?

Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2) is typically synthesized via a multistep process involving the formation of a pyrrole derivative and subsequent coupling with an ethyl ester. This reaction is often catalyzed by a palladium complex, and the overall yield can be up to 85%. The reaction conditions include the use of a base and a solvent such as toluene or dioxane.

What industries use Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2)?

Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2) is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various bioactive compounds and is also utilized in the production of advanced materials such as polymers and organic semiconductors. Its fluorescent properties make it useful in sensor applications as well.

What precautions should be taken when handling Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2)?

When handling Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS: 881674-06-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, immediately clean it up with appropriate absorbent material and dispose of it according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.