5-Fluoropyridine-3-carbaldehyde

Base Information

• Chemical Name: 5-Fluoropyridine-3-carbaldehyde
• CAS No.: 39891-04-8
• Molecular Formula: C6H4FNO
• Molecular Weight: 125.102
• Hs Code.: 2933399090
• European Community (EC) Number: 689-339-9
• DSSTox Substance ID: DTXSID40556450
• Wikidata: Q72476742
• Mol file: 39891-04-8.mol

Synonyms:5-Fluoronicotinaldehyde;39891-04-8;3-Fluoro-5-formylpyridine;5-Fluoropyridine-3-carbaldehyde;5-FLUORO-3-PYRIDINECARBOXALDEHYDE;5-Fluoropyridine-3-carboxaldehyde;5-fluoro-pyridine-3-carbaldehyde;3-Fluoropyridine-5-carboxaldehyde;MFCD07778429;3-Pyridinecarboxaldehyde, 5-fluoro-;SCHEMBL429795;5-fluoro-3-pyridinecarbaldehyde;AMY6738;DTXSID40556450;FEPXZFGQVDIXMZ-UHFFFAOYSA-N;AKOS008901346;3-fluoro-5-formylpyridine, AldrichCPR;CS-W018621;PB12469;PS-9208;AC-33341;SY022265;A6659;EN300-1725317;W-202639;Z1183458945

Chemical Property of 5-Fluoropyridine-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.0362mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 188.6 °C at 760 mmHg
• PKA: 1.01±0.20(Predicted)
• Flash Point: 67.9 °C
• PSA: 29.96000
• Density: 1.27 g/cm³
• LogP: 1.03320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 125.027691913
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

98% ^*data from raw suppliers

5-Fluoronicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1F)C=O

Technology Process of 5-Fluoropyridine-3-carbaldehyde

There total 13 articles about 5-Fluoropyridine-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:

Ethyl 5-fluoronicotinate (22620-29-7) → 5-fluoropyridine-3-carboxaldehyde (39891-04-8)

Guidance literature:

Multi-step reaction with 3 steps

1: N₂H₄*H₂O / 110 °C

2: pyridine

3: Na₂CO₃ / ethane-1,2-diol / 160 °C

With pyridine; sodium carbonate; hydrazine hydrate; In ethylene glycol;

DOI:10.1021/jm00123a012

Reference yield:

C13H12FN3O3S (107756-01-4) → 5-fluoropyridine-3-carboxaldehyde (39891-04-8)

Guidance literature:

With sodium carbonate; In ethylene glycol; at 160 ℃;

DOI:10.1021/jm00123a012

Reference yield:

5-fluoropyridine-3-carbohydrazide (701-40-6) → 5-fluoropyridine-3-carboxaldehyde (39891-04-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: Na₂CO₃ / ethane-1,2-diol / 160 °C

With pyridine; sodium carbonate; In ethylene glycol;

DOI:10.1021/jm00123a012

upstream raw materials:

(5-fluoropyridin-3-yl)methanol

C₁₃H₁₂FN₃O₃S

5-fluoropyridine-3-carbohydrazide

Ethyl 5-fluoronicotinate

Downstream raw materials:

[3-(9-{1-[(5-fluoropyridin-3-yl)methyl]piperidin-4-yl}-6-morpholin-4-yl-9H-purin-2-yl)phenyl]methanol

2-(5-fluoro-pyridin-3-yl)-6-hydroxy-chroman-4-one

(E)-1-(2,5-dihydroxy-phenyl)-3-(5-fluoro-pyridin-3-yl)propenone

4-(2-(4-(5-fluoropyridin-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-5-yl)thiazol-4-yl)benzonitrile

Refernces

• 1、 -. "Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same". . . Retrieved 2008/06/13.
• 2、 Kyba, Evan P.,Liu, Shiuh-Tzung,Chockalingam, Kannappan,Reddy, B. Raghava. "A General Synthesis of Substituted Fluorenones and Azafluorenones". . p. 3513 - 3521. Retrieved 2007/10/02.