5-(4-Fluorophenyl)pyridine-3-carbaldehyde

Base Information

• Chemical Name: 5-(4-Fluorophenyl)pyridine-3-carbaldehyde
• CAS No.: 381684-96-4
• Molecular Formula: C12H8FNO
• Molecular Weight: 201.2
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID80432188
• Wikidata: Q82246244
• Mol file: 381684-96-4.mol

Synonyms:381684-96-4;5-(4-fluorophenyl)pyridine-3-carbaldehyde;5-(4-Fluorophenyl)nicotinaldehyde;5-(4-FLUOROPHENYL)-3-PYRIDINECARBALDEHYDE;5-(4-Fluorophenyl)pyridine-3-carboxaldehyde;5-(4-FLUOROPHENYL)-PYRIDINE-3-CARBOXALDEHYDE;MFCD02093924;SCHEMBL1582492;AMY8070;DTXSID80432188;LGBCBWOHFSIXOW-UHFFFAOYSA-N;AKOS016000638;AB10855;DS-17364;SY015847;5-(4-fluorophenyl)-pyridine-3-carbaldehyde;CS-0050771;FT-0765646;EN300-715985;P17814;A873911;J-516251;5-(4-fluorophenyl)pyridine-3-carbaldehyde, AldrichCPR

Chemical Property of 5-(4-Fluorophenyl)pyridine-3-carbaldehyde

Chemical Property:

• PSA: 29.96000
• LogP: 2.70020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• 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%,99%, ^*data from raw suppliers

5-(4-Fluorophenyl)-3-pyridinecarbaldehyde ^*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=CN=CC(=C2)C=O)F

Technology Process of 5-(4-Fluorophenyl)pyridine-3-carbaldehyde

There total 7 articles about 5-(4-Fluorophenyl)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: 98.0%

5-(4-fluorophenyl)pyridine-3-carboxylic acid morpholine amide → 5-(4-fluorophenyl)nicotinaldehyde (381684-96-4)

Guidance literature:

5-(4-fluorophenyl)pyridine-3-carboxylic acid morpholine amide; With lithium triethoxyaluminum hydride; In tetrahydrofuran; at 30 - 35 ℃; for 1.16667h;

With sulfuric acid; water; In tetrahydrofuran; Product distribution / selectivity;

Reference yield: 86.0%

5-bromopyridine-3-carbaldehyde (113118-81-3) + 4-fluoroboronic acid (1765-93-1) → 5-(4-fluorophenyl)nicotinaldehyde (381684-96-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; Inert atmosphere; Reflux;

DOI:10.1515/znb-2012-0113

Reference yield: 36.0%

5-(4-fluorophenyl)pyridine-3-carboxylic acid piperidine amide (1048511-59-6) → 5-(4-fluorophenyl)nicotinaldehyde (381684-96-4)

Guidance literature:

With lithium aluminium tetrahydride; ethyl acetate; In tetrahydrofuran; at 0 ℃;

5-(4-fluorophenyl)pyridine-3-carboxylic acid piperidine amide; In tetrahydrofuran; at -7 ℃; for 3h;

With sodium hydroxide; sulfuric acid; water; more than 3 stages; Product distribution / selectivity;

upstream raw materials:

3-(p-fluorophenyl)-5-hydroxymethyl-pyridine

5-(4-fluorophenyl)pyridine-3-carboxylic acid piperidine amide

EMD 50929

3-pyridinecarboxaldehyde

Downstream raw materials:

8-(4-((5-(4-fluorophenyl)pyridin-3-yl)methyl)piperazin-1-yl)quinolin-2(1H)-one

7-(1-((5-(4-fluorophenyl)pyridin-3-yl)methyl)piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

7-(4-((5-(4-fluorophenyl)pyridin-3-yl)methyl)piperazin-1-yl)-3,4-dihydroquinazolin-2(1H)-one

6-[4-{[5-(4-fluorophenyl)pyridin-3-yl]methyl}piperazin-1-yl]-3,4-dihydroquinazolin-2(1H)-one

Refernces

• 1、 -. "4-ARYL-1-(BIARYLMETHYLENE) PIPERIDINE COMPOUNDS". Sheet 4. . Retrieved 2014/10/16.
• 2、 -. "METHOD FOR THE PRODUCTION OF 5-ARYL NICOTINALDEHYDES". Page/Page column 8. . Retrieved 2008/06/13.