6-(4-Fluorophenyl)nicotinaldehyde

Base Information

• Chemical Name: 6-(4-Fluorophenyl)nicotinaldehyde
• CAS No.: 135958-93-9
• Molecular Formula: C₁₂H₈FNO
• Molecular Weight: 201.2
• DSSTox Substance ID: DTXSID80600229
• Wikidata: Q82496203
• Mol file: 135958-93-9.mol

Synonyms:6-(4-Fluorophenyl)nicotinaldehyde;135958-93-9;6-(4-FLUOROPHENYL)PYRIDINE-3-CARBALDEHYDE;5-formyl-2-(4-fluorophenyl)pyridine;6-(4-FLUORO-PHENYL)-PYRIDINE-3-CARBALDEHYDE;3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)-;6-(4-FLUOROPHENYL)PYRIDINE-3-CARBOXALDEHYDE;SCHEMBL4425760;DTXSID80600229;WESBCTRYJPEULH-UHFFFAOYSA-N;MFCD04115445;AKOS015910526;AB20018;DB-350149;6-(4-fluorophenyl)-3-pyridinecarboxaldehyde;CS-0193275;E89745;6-(4-fluorophenyl)pyridine-3-carbaldehyde, AldrichCPR

Chemical Property of 6-(4-Fluorophenyl)nicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.000105mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 337.4 °C at 760 mmHg
• PKA: 2.71±0.25(Predicted)
• Flash Point: 157.8 °C
• PSA: 29.96000
• Density: 1.228g/cm³
• LogP: 2.70020
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.058992041
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

6-(4-Fluorophenyl)nicotinaldehyde 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC=C(C=C2)C=O)F

Technology Process of 6-(4-Fluorophenyl)nicotinaldehyde

There total 1 articles about 6-(4-Fluorophenyl)nicotinaldehyde 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:

→ 6-(4-fluorophenyl)-3-pyridine-carboxaldehyde (135958-93-9)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 90 ℃; Inert atmosphere;

Reference yield: 78.0%

6-(4-fluorophenyl)-3-pyridine-carboxaldehyde (135958-93-9) + triphenylphosphonium difluoroacetic acid inner salt → 5-(2,2-difluorovinyl)-2-(4-fluorophenyl)pyridine

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 60 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01866

Reference yield:

6-(4-fluorophenyl)-3-pyridine-carboxaldehyde (135958-93-9) → (Z)-5-(6-(2,5-dimethylphenoxy)-2-fluoro-3,3-dimethylhex-1-en-1-yl)-2-(4-fluorophenyl)pyridine

Guidance literature:

Multi-step reaction with 2 steps

1: 1-methyl-pyrrolidin-2-one / 1 h / 60 °C / Inert atmosphere

2: zinc / N,N-dimethyl acetamide / 48 h / 20 °C / Inert atmosphere

With zinc; In 1-methyl-pyrrolidin-2-one; N,N-dimethyl acetamide;

DOI:10.1021/acs.orglett.8b01866

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