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

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde Structure
CAS No.
881674-56-2
Chemical Name:
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
Synonyms
5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde;5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde;5-(2-Fluorophenyl)pyrrole-3-carboxaldehyde;Vonorazan;VONOPRAZAN IST-1;5-(2-FL;e-3-carbaL;)-1H-pyrroL;Vonoprazan-1;Vonoprazan-023
CBNumber:
CB52638918
Molecular Formula:
C11H8FNO
Molecular Weight:
189.19
MOL File:
881674-56-2.mol
MSDS File:
SDS
Modify Date:
2024/3/26 14:55:36

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

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
InChIKey MQULPEUCGKEHEG-UHFFFAOYSA-N
SMILES N1C(C2=CC=CC=C2F)=CC(C=O)=C1

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H319-H302+H312+H332-H315
Precautionary statements  P280-P301+P312-P362+P364
HS Code  2933998090

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde price More Price(2)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) F1074 5-(2-Fluorophenyl)pyrrole-3-carboxaldehyde min. 98.0 % 881674-56-2 1G ₹7600 2022-05-26 Buy
TCI Chemicals (India) F1074 5-(2-Fluorophenyl)pyrrole-3-carboxaldehyde min. 98.0 % 881674-56-2 5G ₹17500 2022-05-26 Buy
Product number Packaging Price Buy
F1074 1G ₹7600 Buy
F1074 5G ₹17500 Buy

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde Chemical Properties,Uses,Production

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.

Uses

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.

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.

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde Preparation Products And Raw materials

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1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)- 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde TAK-438( Vonoprazan fumarate) intermediate 3 5-(2-Fluorophenyl)-1H-pyrrole-3-carbal... 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1H-pyrrole- TAK438 Impurity 54 1-[(2S) -2-pyrrolidinecarbonyl] -pyrrolidine TAK438 Intermediate Vonoprazan-1 5-(2-Fluorophenyl)pyrrole-3-carbaldehyde Vonoprazan-023 5-(2-FL e-3-carbaL )-1H-pyrroL 5-(2-fluorophenyl)-1H-Pyrrole-3-carboxaldehy 5 - (2-fluorophenyl) - 1h-pyrrole-3-formaldehyde 5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde 5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde 5-(2-Fluorophenyl)pyrrole-3-carboxaldehyde VONOPRAZAN IST-1 Vonorazan 5-(2-Fluorophenyl)-1H-pyrrol-3-carbaldehyde Vonolazan impurity 1 TAK438 Impurity 54 CRS 5-(2-fluorophenyl)-1H- Novorazan Impurity 01 881674-56-2 881647-56-2 Vonoprazan Pharmaceutical Intermediates 881674-56-2