1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-fluoro-2-Methyl-, Methyl este

Base Information

• Chemical Name: 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-fluoro-2-Methyl-, Methyl este
• CAS No.: 1312755-47-7
• Molecular Formula: C10H9FN2O2
• Molecular Weight: 208.192
• Hs Code.: 2933990090
• Mol file: 1312755-47-7.mol

Synonyms:1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-fluoro-2-Methyl-, Methyl este;methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Chemical Property of 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-fluoro-2-Methyl-, Methyl este

Chemical Property:

• PKA: 12.03±0.40(Predicted)
• PSA: 54.98000
• Density: 1.356±0.06 g/cm3(Predicted)
• LogP: 1.79700

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

METHYL 5-FLUORO-2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-fluoro-2-Methyl-, Methyl este

There total 4 articles about 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-fluoro-2-Methyl-, Methyl este 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: 74.0%

methanol (67-56-1) + 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine (145934-92-5) + trifluoroacetyl chloride (76-02-8) → 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester (1312755-47-7)

Guidance literature:

5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine; aluminum (III) chloride; In dichloromethane; for 0.833333h;

trifluoroacetyl chloride; In dichloromethane; for 18h;

methanol;

Reference yield:

2-amino-5-fluoropyridine (21717-96-4) → 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester (1312755-47-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sulfuric acid; potassium iodate / 100 °C

1.2: 1.5 h

2.1: triethylamine / copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 1 h / 0 - 20 °C

3.1: potassium tert-butylate / tert-butyl alcohol / 1 h / 85 °C

4.1: aluminum (III) chloride / dichloromethane / 0.83 h

4.2: 18 h

With potassium iodate; sulfuric acid; potassium tert-butylate; triethylamine; aluminum (III) chloride; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; dichloromethane; tert-butyl alcohol;

Reference yield:

5-fluoro-3-iodo-pyridin-2-amine (823218-51-5) → 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester (1312755-47-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine / copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 1 h / 0 - 20 °C

2.1: potassium tert-butylate / tert-butyl alcohol / 1 h / 85 °C

3.1: aluminum (III) chloride / dichloromethane / 0.83 h

3.2: 18 h

With potassium tert-butylate; triethylamine; aluminum (III) chloride; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; dichloromethane; tert-butyl alcohol;

upstream raw materials:

methanol

5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine

trifluoroacetyl chloride

2-amino-5-fluoropyridine

Downstream raw materials:

1-benzenesulfonyl-5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester

9-benzenesulfonyl-3-fluoro-5-hydroxy-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carbonitrile

1-benzenesulfonyl-5-fluoro-2-bromomethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester

1-benzenesulfonyl-5-fluoro-2-{[cyanomethyl-(toluene-4-sulfonyl)amino]methyl}-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester

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