5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- Product Name
- 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- CAS No.
- 881677-11-8
- Chemical Name
- 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- Synonyms
- 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde;5-(2-Fluorophenyl)-1-[(pyridin-3-yl)sulfonyl]-1H-pyrrole-3-carboxaldehyde;Vonoprazan N -1;5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde (Vonoprazan Impurity);Vonoprazan-10;Vonoprazan-026;TAK438 Impurity 67;Vonolazan impurity 12;TAK438 Intermediate 5;Sulfonyl aldehyde Impurity of Vonoprazan
- CBNumber
- CB02680972
- Molecular Formula
- C16H11FN2O3S
- Formula Weight
- 330.33
- MOL File
- 881677-11-8.mol
5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde Property
- 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
- InChIKey
- IXCSYEVJOAWXRH-UHFFFAOYSA-N
- SMILES
- N1(S(C2=CC=CN=C2)(=O)=O)C(C2=CC=CC=C2F)=CC(C=O)=C1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- D294328
- Product name
- 3-Des-N-methylmethanamineVonoprazan-3-carbaldehyde
- Packaging
- 500mg
- Price
- $255
- Updated
- 2021/12/16
- Product number
- 2733EA
- Product name
- 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- Packaging
- 5g
- Price
- $658
- Updated
- 2021/12/16
- Product number
- CD11035613
- Product name
- 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- Purity
- 97%
- Packaging
- 5g
- Price
- $420
- Updated
- 2021/12/16
- Product number
- CM176209
- Product name
- 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- Purity
- 97%
- Packaging
- 5g
- Price
- $533
- Updated
- 2021/12/16
- Product number
- 881677118
- Product name
- 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
- Packaging
- 5g
- Price
- $604.2
- Updated
- 2021/12/16
5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde Chemical Properties,Usage,Production
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
5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde Preparation Products And Raw materials
Raw materials
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View Lastest Price from 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde manufacturers
- Product
- 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde 881677-11-8
- Price
- US $20.00/kg
- Min. Order
- 1kg
- Purity
- 99
- Supply Ability
- 100000
- Release date
- 2025-03-05
- Product
- 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbonitrile 881677-11-8
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 800kg
- Release date
- 2025-03-18
- Product
- 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl) 881677-11-8
- Price
- US $150.00/KG
- Min. Order
- 1KG
- Purity
- 99.99%
- Supply Ability
- 12T
- Release date
- 2025-02-20