5-Ethylpyridine-2-carbaldehyde

Base Information

• Chemical Name: 5-Ethylpyridine-2-carbaldehyde
• CAS No.: 21913-84-8
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40508934
• Wikidata: Q82366173
• Mol file: 21913-84-8.mol

Synonyms:5-ethylpyridine-2-carbaldehyde;21913-84-8;5-Ethylpicolinaldehyde;5-ethyl-pyridine-2-carboxaldehyde;5-ethyl-2-pyridinecarbaldehyde;5-ethylpyridine-2-carboxaldehyde;SCHEMBL934192;DTXSID40508934;PPUYLXOFOVDYKU-UHFFFAOYSA-N;AMY14111;MFCD09864377;AKOS006280544;DS-5236;5-ethylpyridine-2-carbaldehyde, AldrichCPR;C74094;5-ethylpyridine-2-carbaldehyde(SALTDATA: FREE);EN300-1264769;F9995-4180;Z1198235245

Chemical Property of 5-Ethylpyridine-2-carbaldehyde

Chemical Property:

• Boiling Point: 85-106 °C(Press: 12 Torr)
• PKA: 4.07±0.10(Predicted)
• PSA: 29.96000
• Density: 1.063±0.06 g/cm3(Predicted)
• LogP: 1.45650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

5-ethylpyridine-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CN=C(C=C1)C=O

Technology Process of 5-Ethylpyridine-2-carbaldehyde

There total 6 articles about 5-Ethylpyridine-2-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: 61.0%

2-hydroxymethyl-5-ethyl pyridine (768-61-6) → 5-ethyl-pyridine-2-carboxaldehyde (21913-84-8)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 50 ℃; for 120h; Sonication;

DOI:10.1016/j.jinorgbio.2014.12.015

Reference yield:

5-ethyl-2-methyl-pyridine (104-90-5) → 5-ethyl-pyridine-2-carboxaldehyde (21913-84-8)

Guidance literature:

5-ethyl-2-methyl-pyridine; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 2.5h;

With trifluoroacetic anhydride; In dichloromethane; for 3.5h; Heating / reflux;

With sodium methylate; manganese(IV) oxide; more than 3 stages;

Reference yield:

5-ethyl-2-methylpyridine-N-oxide (768-44-5) → 5-ethyl-pyridine-2-carboxaldehyde (21913-84-8)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid / 3 h / 120 °C

2: sodium hydroxide / water; tetrahydrofuran / 5 h / 70 °C

3: manganese(IV) oxide / chloroform / 120 h / 50 °C / Sonication

With manganese(IV) oxide; acetic acid; sodium hydroxide; In tetrahydrofuran; chloroform; water;

DOI:10.1016/j.jinorgbio.2014.12.015

upstream raw materials:

5-ethyl-2-methyl-pyridine

2-hydroxymethyl-5-ethyl pyridine

5-ethyl-2-methylpyridine-N-oxide

(5-ethylpyridin-2-yl)methyl acetate

Downstream raw materials:

5-ethyl-pyridine-2-carbonitrile

5-{4-[3-(5-Ethyl-pyridin-2-yl)-propionyl]-benzyl}-thiazolidine-2,4-dione

5-ethyl-2-(N-cyclohexylaminomethyl)pyridine

5-ethyl-2-(N-methylaminomethyl)pyridine