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ChemicalBook--->CAS DataBase List--->881674-56-2

881674-56-2

881674-56-2 Structure

881674-56-2 Structure
IdentificationBack Directory
[Name]

1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-
[CAS]

881674-56-2
[Synonyms]

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

809-913-6
[Molecular Formula]

C11H8FNO
[MDL Number]

MFCD11875867
[MOL File]

881674-56-2.mol
[Molecular Weight]

189.186
Chemical PropertiesBack Directory
[Melting point ]

133 °C
[Boiling point ]

370.6±32.0 °C(Predicted)
[density ]

1.270±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,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 DataBack Directory
[HS Code ]

2933998090
Hazard InformationBack Directory
[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.
[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.
[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%.
[Hazard]

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde has acute toxin effects and is a skin and eye irritant.
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