2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

CAS NO.：1240948-72-4
Empirical Formula: C11H6ClFN2
Molecular Weight: 220.63
MDL number: MFCD28404592
SAFETY DATA SHEET (SDS)
Update Date: 2022-08-26 12:23:07

What is 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile?

Description

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile is an important pharmaceutical intermediate. It can be used in the preparation of vorexanol fumarate and vonoprazan, and can also be used as a chemical raw material for the synthesis of other organic compounds.

The Uses of 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

2-Chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile (Vonoprazan Impurity 33) is an impurity of Vonoprazan, a potassium-competitive acid blocker (P-CAB) that suppresses gastric acid secretion.

Synthesis

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile is synthesised using 2-[2-(2-fluorophenyl)-2-oxoethyl]malononitrile as raw material by chemical reaction. The specific synthesis steps are as follows:
2 g of the intermediate III-1 was dissolved in 40 ml of a solution of hydrochloric acid in ethyl acetate, and the mixture was stirred at room temperature overnight. After the reaction is completed, the solvent is distilled off under reduced pressure to give the compound of 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile, 2.1 g of a white solid with a yield of 96%.

Properties of 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

Boiling point:	403.0±45.0 °C(Predicted)
Density	1.41±0.1 g/cm3(Predicted)
storage temp.	2-8°C
pka	12.88±0.50(Predicted)

Safety information for 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.