5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
- CAS NO.：881674-56-2
- Empirical Formula: C11H8FNO
- Molecular Weight: 189.19
- MDL number: MFCD11875867
- EINECS: 809-913-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-09-20 20:09:13
What is 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde?
Description
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.
Chemical properties
Light orange to Yellow to Green powder to crystal.
The Uses of 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
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).
What are the applications of 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.
Preparation
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.
Properties of 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
| Melting point: | 133 °C |
| Boiling point: | 370.6±32.0 °C(Predicted) |
| Density | 1.270±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 14.77±0.50(Predicted) |
| color | Light Brown to Brown |
| Stability: | Hygroscopic |
| InChI | InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H |
Safety information for 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
| InChIKey | MQULPEUCGKEHEG-UHFFFAOYSA-N |
| SMILES | N1C(C2=CC=CC=C2F)=CC(C=O)=C1 |
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde manufacturer
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