5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

Base Information

• Chemical Name: 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
• CAS No.: 1171920-17-4
• Molecular Formula: C8H5FN2O
• Molecular Weight: 164.1365032
• DSSTox Substance ID: DTXSID30596749
• Wikidata: Q82492082
• Mol file: 1171920-17-4.mol

Synonyms:5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;1171920-17-4;1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-fluoro-;MFCD12922779;5-Fluoro-7-azaindole-3-carboxaldehyde;5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde;SCHEMBL1337617;DTXSID30596749;RPBDGPLCGCJDOM-UHFFFAOYSA-N;AMY14098;5-Fluoro-7-azaindole-3-carbaldehyde;AKOS006332666;SB14415;AS-69456;SY259688;CS-0056507;P11514;EN300-3044074;Z1201626872;5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, AldrichCPR

Chemical Property of 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

Chemical Property:

• Boiling Point: 292.5±40.0 °C(Predicted)
• PKA: 4.82±0.20(Predicted)
• PSA: 45.75000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 1.51450
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.03859095
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99%, ^*data from raw suppliers

5-Fluoro-1h-pyrrolo[2,3-b]pyridine-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC2=C1C(=CN2)C=O)F

Technology Process of 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

There total 3 articles about 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde 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: 18.0%

5-fluoro-1H-pyrrolo[2,3‐b]pyridine (866319-00-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (1171920-17-4)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃; for 0.333333h; Inert atmosphere;

5-fluoro-1H-pyrrolo[2,3‐b]pyridine; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

With sodium hydroxide; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acscatal.0c05656

Reference yield:

5-fluoro-1H-pyrrolo[2,3‐b]pyridine (866319-00-8) + Dichloromethyl methyl ether (4885-02-3) → 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (1171920-17-4)

Guidance literature:

With aluminum (III) chloride; In nitromethane; 1,2-dichloro-ethane; at 0 ℃; for 1h; Inert atmosphere;

Reference yield:

5-fluoro-1H-pyrrolo[2,3‐b]pyridine (866319-00-8) + hexamethylenetetramine (100-97-0) → 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (1171920-17-4)

Guidance literature:

With acetic acid; In water;

upstream raw materials:

5-fluoro-1H-pyrrolo[2,3‐b]pyridine

hexamethylenetetramine

Dichloromethyl methyl ether

N,N-dimethyl-formamide

Downstream raw materials:

1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-((3-methoxyphenyl)amino)-2-phenylethanone

2-((3,5-dimethoxyphenyl)amino)-1-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenylethanone

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