3-ACETYLPYRROLE Chemical Properties

Melting point:

115-117°C

Boiling point:

220 C

Density 

1.099±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

pka

15.37±0.50(Predicted)

color 

Light Brown

BRN 

107151

Stability:

Light Sensitive

InChI

InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3

InChIKey

KHHSXHXUQVNBGA-UHFFFAOYSA-N

SMILES

C(=O)(C1C=CNC=1)C

CAS DataBase Reference

1072-82-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-36-22

Safety Statements 

26-36/37/39-36

WGK Germany 

WGK 3

Hazard Note 

Irritant

HS Code 

2933998090

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2

MSDS

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3-ACETYLPYRROLE Usage And Synthesis

Uses

3-Acetylpyrrole is a useful research reagent for organic synthesis and other chemical and pharmaceutical processes.

Definition

ChEBI: 1-(1H-pyrrol-3-yl)ethan-1-one is an aromatic ketone.

Synthesis Reference(s)

Canadian Journal of Chemistry, 58, p. 2527, 1980 DOI: 10.1139/v80-404
Synthetic Communications, 17, p. 401, 1987 DOI: 10.1080/00397918708063917
Tetrahedron Letters, 22, p. 4901, 1981 DOI: 10.1016/S0040-4039(01)92377-9

Synthesis

3-Acetylpyrrole can be prepared from pyrrole.
Pyrrole (10.0 g) was added to a well-stirred suspension of NaOH (17.9 g, 447.3 mmol) in 10 mL of dichloromethane. The reaction mixture was cooled to 0C. The reaction mixture was stirred for 10 min. A solution of benzenesulfonyl chloride (31.6 g) in 2 mL of dichloroethane was added dropwise to the reaction mixture. After the addition is complete, allow the reaction mixture to come to room temperature. The reaction mixture was allowed to stir overnight. Pour in 60 mL of H2O to quench the reaction. Separate the organic layer. Extract the aqueous layer with dichloromethane (3 60 mL). Wash the combined organic extracts with water to neutral. Dry the combined organic extracts with Na2SO4. Remove the solvent. The residue was purified by recrystallization to give 3-acetylpyrrole.

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