4-Methylpyridine-2-carbaldehyde

Base Information

• Chemical Name: 4-Methylpyridine-2-carbaldehyde
• CAS No.: 53547-60-7
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Hs Code.: 2933399090
• European Community (EC) Number: 637-320-0
• DSSTox Substance ID: DTXSID30968306
• Nikkaji Number: J2.664.516F
• Wikidata: Q72496552
• Mol file: 53547-60-7.mol

Synonyms:4-methylpyridine-2-carbaldehyde;53547-60-7;4-methylpicolinaldehyde;2-Formyl-4-picoline;4-methylpyridine-2-carboxaldehyde;4-Methyl-2-pyridinecarbaldehyde;MFCD07367933;2-Formyl-4-methylpyridine;SCHEMBL457223;4-methyl-pyridin-2-carbaldehyde;4-methyl-2-pyridinecarboxaldehyde;4-Methyl-pyridine-2-carbaldehyde;DTXSID30968306;2-formyl-4-picoline, AldrichCPR;UAKMHSRHDUBNJR-UHFFFAOYSA-N;4-methyl-2-pyridine carboxaldehyde;4-methyl-2-pyridine-carboxaldehyde;BBL102290;STL556089;AKOS006220672;CS-W008908;PS-5686;4-Methylpyridine-2-carboxaldehyde, 97%;AC-14285;AC-33345;AM804013;SY022270;A7787;FT-0650053;EN300-155642;J-515814;Z1201624018

Chemical Property of 4-Methylpyridine-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.21mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 208.8 °C at 760 mmHg
• PKA: 4.54±0.10(Predicted)
• Flash Point: 84.258 °C
• PSA: 29.96000
• Density: 1.095 g/cm³
• LogP: 1.20250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.052763847
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

4-Methylpyridine-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1)C=O

Technology Process of 4-Methylpyridine-2-carbaldehyde

There total 14 articles about 4-Methylpyridine-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: 80.0%

ethyl 4-methyl-2-pyridinecarboxylate (58997-09-4) → 4-methyl-2-pyridinecarbaldehyde (53547-60-7)

Guidance literature:

ethyl 4-methyl-2-pyridinecarboxylate; With diisobutylaluminium hydride; In dichloromethane; at -60 ℃; for 0.0833333h;

With methanol; In dichloromethane;

DOI:10.1039/c0ob00931h

Reference yield: 71.5%

(4-methyl-2-pyridyl)magnesium bromide (113170-67-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-methyl-2-pyridinecarbaldehyde (53547-60-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

Reference yield: 67.0%

2-Bromo-4-picoline (4926-28-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-methyl-2-pyridinecarbaldehyde (53547-60-7)

Guidance literature:

2-Bromo-4-picoline; With n-butyllithium; In tetrahydrofuran; hexane; acetone; at -78 ℃; for 2h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; acetone; at -78 ℃; for 2h;

DOI:10.1002/anie.201711209

upstream raw materials:

(4-methyl-2-pyridinyl)methanol

2,4-lutidine

2-Cyano-4-methylpyridin

4-methylpyridine-1-oxide

Downstream raw materials:

hydroxy-(4-methyl-[2]pyridyl)-acetonitrile

4-methylpicolinaldehyde oxime

4-methyl-2-vinylpyridine