| Identification | Back Directory | [Name]
1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)- | [CAS]
881677-11-8 | [Synonyms]
Vonoprazan-10
Vonoprazan-026
Vonoprazan N -1
TAK438 Impurity 67
TAK-438( Vonoprazan fumarate) intermediate 4
5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldenhyde
5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-Pyrrole-3-carboxaldehyde
1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-
5-(2-Fluorophenyl)-1-[(pyridin-3-yl)sulfonyl]-1H-pyrrole-3-carboxaldehyde
2-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)acetaldehyde
(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine
Vonoprazan impurity 31/5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3- carbaldehyde | [EINECS(EC#)]
807-719-6 | [Molecular Formula]
C16H11FN2O3S | [MDL Number]
MFCD11875978 | [MOL File]
881677-11-8.mol | [Molecular Weight]
330.334 |
| Chemical Properties | Back Directory | [Boiling point ]
563.7±60.0 °C(Predicted) | [density ]
1.37±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,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 | [InChIKey]
IXCSYEVJOAWXRH-UHFFFAOYSA-N | [SMILES]
N1(S(C2=CC=CN=C2)(=O)=O)C(C2=CC=CC=C2F)=CC(C=O)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Brown to Light Brown Solid. | [Uses]
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) | [References]
[1] Patent: CN106478601, 2017, A. Location in patent: Paragraph 0036; 0037
[2] Patent: EP2963019, 2016, A1. Location in patent: Paragraph 0142; 0146
[3] Patent: CN107586288, 2018, A. Location in patent: Paragraph 0035-0037
[4] Patent: US2018/186736, 2018, A1. Location in patent: Paragraph 0142; 0143
[5] Patent: US2011/306769, 2011, A1. Location in patent: Page/Page column 28-29 |
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