5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- CAS NO.：881677-11-8
- Empirical Formula: C16H11FN2O3S
- Molecular Weight: 330.33
- MDL number: MFCD11875978
- EINECS: 807-719-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-03-18 18:20:25
What is 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde?
Chemical properties
Pale Brown to Light Brown Solid.
The Uses of 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
3-Des-N-methylmethanamine Vonoprazan-3-carbaldehyde is an impurity of Vonaprazan (V767010) a novel potassium-competitive acid blocker for the treatment of acid-related diseases.
Synthesis
5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde is prepared by the reaction of 3-pyridinesulfonyl Chloride and 5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde. The specific synthesis steps are as follows:
Take 10.0g (52.86mmol) of compound, 5.9g (58.15mmol) of triethylamine and 100mL of dichloromethane, cool the system to 0°C, add dropwise a dichloromethane solution (100mL) of compound G (58.15mmol), and add dropwise After completion, the system was reacted at room temperature for 6 hours, 100mL of water was added and washed twice, the organic phase was dried with anhydrous sodium sulfate, and concentrated under reduced pressure to obtain 16.4g of 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde, with a yield of 93.8%.
Solubility in organics
Chloroform (Slightly), DMSO (Slightly)
Properties of 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
| Boiling point: | 563.7±60.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Chloroform (Slightly), DMSO (Slightly) |
| form | Solid |
| pka | -0.34±0.11(Predicted) |
| color | Pale Brown to Light Brown |
| InChI | InChI=1S/C16H11FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-11H |
Safety information for 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
| InChIKey | IXCSYEVJOAWXRH-UHFFFAOYSA-N |
| SMILES | N1(S(C2=CC=CN=C2)(=O)=O)C(C2=CC=CC=C2F)=CC(C=O)=C1 |
5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde manufacturer
TIKVAH PHARMA SOLUTIONS PVT LTD
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Phone:+918341143995
Whatsapp: +91-8341143995
product: 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde 98 %
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