1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-

Base Information

• Chemical Name: 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-
• CAS No.: 881677-11-8
• Molecular Formula: C16H11FN2O3S
• Molecular Weight: 330.339
• Mol file: 881677-11-8.mol

Synonyms:(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine;5-(2-Fluorophenyl)-1-[(pyridin-3-yl)sulfonyl]-1H-pyrrole-3-carboxaldehyde;

Chemical Property of 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-

Chemical Property:

• Boiling Point: 563.7±60.0 °C(Predicted)
• PKA: -0.34±0.11(Predicted)
• PSA: 77.41000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 3.81950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-Des-N-methylmethanamineVonoprazan-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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.

Technology Process of 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-

There total 25 articles about 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.1%

formic acid (64-18-6) + 5-(2-fluorophenyl)-1-(pyridin-3-yl-sulfonyl)-1H-pyrrole-3-carbonitrile (1807642-39-2) → 5‐(2-fluorophenyl)‐1‐(pyridine-3-sulfonyl)-1H-pyrrole-3-carbaldehyde (881677-11-8)

Guidance literature:

With water; hydrogen; nickel; In tetrahydrofuran; at 25 ℃; for 22h;

DOI:10.1016/j.tet.2022.132669

Reference yield: 93.8%

Pyridine-3-sulfonyl chloride (16133-25-8) + 5-(2-fluorophenyl)-1H-pyrrole-3-carboxaldehyde (881674-56-2) → 5‐(2-fluorophenyl)‐1‐(pyridine-3-sulfonyl)-1H-pyrrole-3-carbaldehyde (881677-11-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 6h;

Reference yield: 87.1%

o-fluorophenylboronic acid (1993-03-9) + 5-bromo-1-(pyridine-3-sulfonyl)-1H-pyrrole-3-carbaldehyde → 5‐(2-fluorophenyl)‐1‐(pyridine-3-sulfonyl)-1H-pyrrole-3-carbaldehyde (881677-11-8)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; water; at 60 ℃; for 3h; Inert atmosphere;

upstream raw materials:

pyridine-3-sulfonyl chloride hydrochloride

5-(2-fluorophenyl)-1H-pyrrole-3-carboxaldehyde

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

2-[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrile

Downstream raw materials:

2-bromo-5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde

1-[5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrole-3-yl]-N-methylmethylamine fumaric acid salt

(x)C₄H₄O₄*C₁₇H₁₆FN₃O₂S

C₁₇H₁₄FN₃O₃S