5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde

Bezeichnung:5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde

CAS-Nr881674-56-2

Englisch Name:5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde

CBNumberCB52638918

SummenformelC11H8FNO

Molgewicht189.19

MOL-Datei881674-56-2.mol

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde physikalisch-chemischer Eigenschaften

Schmelzpunkt	133 °C
Siedepunkt	370.6±32.0 °C(Predicted)
Dichte	1.270±0.06 g/cm3(Predicted)
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pka	14.77±0.50(Predicted)
Farbe	Light Brown to Brown
Stabilität	Hygroscopic
InChI	InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H
InChIKey	MQULPEUCGKEHEG-UHFFFAOYSA-N
SMILES	N1C(C2=CC=CC=C2F)=CC(C=O)=C1

Sicherheit

HS Code

2933998090

Gefahreninformationscode (GHS)

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde Chemische Eigenschaften,Einsatz,Produktion Methoden

Beschreibung
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde is an ether. It can be used to prepare vonoprazan fumarate, which is a potent orally active potassium-competitive acid blocker (P-CAB) with antisecretory activity. It is used in the study of acid-related diseases.
Chemische Eigenschaften
Light orange to Yellow to Green powder to crystal.
Verwenden
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde acts as a reagent in the synthetic preparation of novel pyrrole derivatives as potassium-competitive acid blocker (P-CAB).
Application
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde is a potassium ion-competitive acid blocker used in therapy Acid-related diseases, gastric ulcer, duodenal ulcer, reflux esophagitis, etc.
synthetische
Synthesis of 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde: Using pyrrole as raw material, after being protected by N-alkylation of triisopropylsilyl chloride, it is then reacted with Vilsmeier reagent to obtain 1H-Pyrrole-3-carbaldehyde, which is then purified by N-bromosuccinimide (NBS) bromination and 2-fluorophenylboronic acid for Suzuki coupling reaction to obtain crude 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde, which was purified with toluene. The total yield was 35.5%.
Definition
The 5-(2-fluorophenyl) -1H-pyrrole-3-formaldehyde is an important intermediate of Voranolan fumarate, a competitive potassium ion acid blocker. Voranolan fumarate treats gastric ulcers, duodenal ulcers, reflux esophagitis, etc. 5-(2-fluorophenyl) -1H-pyrrole-3-formaldehyde can be synthesized in one pot using 2-(2-fluorobenzoyl)malononitrile as raw material.
Hazard
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde has acute toxin effects and is a skin and eye irritant.

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