2-Methylisonicotinaldehyde

Base Information

• Chemical Name: 2-Methylisonicotinaldehyde
• CAS No.: 63875-01-4
• Molecular Formula: C7H7 N O
• Molecular Weight: 121.139
• Hs Code.: 2933399090
• European Community (EC) Number: 696-228-9
• DSSTox Substance ID: DTXSID00376651
• Wikidata: Q72496568
• Mol file: 63875-01-4.mol

Synonyms:2-METHYLISONICOTINALDEHYDE;63875-01-4;2-methylpyridine-4-carbaldehyde;2-Methylpyridine-4-carboxaldehyde;4-Pyridinecarboxaldehyde, 2-methyl-;2-METHYL-4-FORMYLPYRIDINE;MFCD06410683;4-Formyl-2-methylpyridine;4formyl-2-methylpyridine;BUTENAFINEHYDROCHLORIDE;SCHEMBL305358;2-methyl-pyridine-4-carbaldehyde;DTXSID00376651;SUMAWDZJEIQACJ-UHFFFAOYSA-N;BBL104118;STL557933;AKOS006229135;AB24827;CS-W003287;EG-0724;6-METHYL-4-PYRIDINECARBOXALDEHYDE;AM804183;SY026484;A8783;FT-0602039;EN300-153774;W-203370;Z1198168755

Chemical Property of 2-Methylisonicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.19mmHg at 25°C
• Melting Point: 83 °C
• Boiling Point: 210.7 ºC at 760 mmHg
• PKA: 3.98±0.10(Predicted)
• Flash Point: 85.5 ºC
• PSA: 29.96000
• Density: 1.095 g/cm³
• LogP: 1.20250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.6
• 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:

98%,99%, ^*data from raw suppliers

2-Methylisonicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CC(=C1)C=O

Technology Process of 2-Methylisonicotinaldehyde

There total 12 articles about 2-Methylisonicotinaldehyde 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: 85.0%

4-bromo-2-methylpyridine (22282-99-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-methyl-pyridine-4-carbaldehyde (63875-01-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; N,N-dimethyl-formamide; at -78 ℃; for 1.58333h;

Reference yield: 84.0%

2-methyl-4-cyanopyridine (2214-53-1) → 2-methyl-pyridine-4-carbaldehyde (63875-01-4)

Guidance literature:

With methanol; diisobutylaluminium hydride; In hexane; toluene; at 5 ℃; for 0.166667h;

DOI:10.1021/jm960415o

Reference yield: 78.0%

N,N-dimethyl-2-(2-methyl-4-pyridyl)ethenamine (444649-52-9) → 2-methyl-pyridine-4-carbaldehyde (63875-01-4)

Guidance literature:

With sodium periodate; In methanol; at 20 ℃; for 1h;

upstream raw materials:

2,4-lutidine

2-methyl-4-cyanopyridine

N,N-dimethyl-2-(2-methyl-4-pyridyl)ethenamine

(2-methylpyridin-4-yl)methanol

Refernces

• 1、 -. "AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY". Paragraph 000119; 000120; 000121. . Retrieved 2017/06/23.
• 2、 -. "Anti-inflammatory agents". Page/Page column 145. . Retrieved 2016/02/05.