4-Methylnicotinaldehyde

Base Information

• Chemical Name: 4-Methylnicotinaldehyde
• CAS No.: 51227-28-2
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Hs Code.: 2933399090
• European Community (EC) Number: 817-206-9
• DSSTox Substance ID: DTXSID40499151
• Wikidata: Q72493321
• Mol file: 51227-28-2.mol

Synonyms:4-METHYLNICOTINALDEHYDE;51227-28-2;4-methyl-3-pyridinecarboxaldehyde;4-methylpyridine-3-carbaldehyde;4-methyl-pyridine-3-carbaldehyde;MFCD07437997;4-Methylpyridine-3-carboxaldehyde;3-PYRIDINECARBOXALDEHYDE, 4-METHYL-;4-methyl-3-formylpyridine;SCHEMBL1043574;DTXSID40499151;BAOMSKHBIVYWKE-UHFFFAOYSA-N;AMY11798;AKOS006229727;PB23498;AS-18635;SY042040;CS-0044125;FT-0646279;EN300-102570;A828495;J-515815;Z1198173330

Chemical Property of 4-Methylnicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.056mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 233.338 °C at 760 mmHg
• PKA: 4.10±0.18(Predicted)
• Flash Point: 100.596 °C
• PSA: 29.96000
• Density: 1.095 g/cm³
• LogP: 1.20250
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°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:

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

4-Methylnicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NC=C1)C=O

Technology Process of 4-Methylnicotinaldehyde

There total 2 articles about 4-Methylnicotinaldehyde 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:

3-cyano-4-methylpyridine (5444-01-9) → 4-methylnicotinaldehyde (51227-28-2)

Guidance literature:

With hydrogenchloride; diisobutylaluminium hydride; Yield given. Multistep reaction; 1.) CH₂Cl₂/hexane, from -78 deg C, to RT, 2.) 1 h;

DOI:10.3987/COM-89-S17

Reference yield:

3,4-Lutidin (583-58-4) → 3-methylpyridine-4-carboxaldehyde (74663-96-0) + 4-methylnicotinaldehyde (51227-28-2)

Guidance literature:

β-VO(PO3)2; In gas; at 400 ℃; Product distribution; Rate constant; selectivity of reaction, rates of partial and total oxidation;

DOI:10.1007/BF00515425

Reference yield: 50.0%

C23H37N3O5 (871492-46-5) + 4-methylnicotinaldehyde (51227-28-2) → C30H44N4O5 (871492-48-7)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 60 ℃;

upstream raw materials:

3-cyano-4-methylpyridine

3,4-Lutidin

Downstream raw materials:

(4-methylpyridin-3-yl)methanol

2-(4-{1-(3,4-bis-difluoromethoxy-phenyl)-2-[3-(1-hydroxy-ethyl)-1-oxy-pyridin-4-yl]-ethyl}-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

4-(2-(3,4-bis-difluoromethoxy-phenyl)-2-{4-[2,2,2-trifluoro-1-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethoxy)-ethyl]-phenyl}-ethyl)-pyridine-3-carbaldehyde

[4-(2-(3,4-bis-difluoromethoxy-phenyl)-2-{4-[2,2,2-trifluoro-1-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethoxy)-ethyl]-phenyl}-ethyl)-pyridin-3-yl]-methanol

Refernces

• 1、 Leitis, L. Ya.,Skolmeistere, R. A.,Golender, L. O.,Yansone, D. P.,Meksh, P. A.,Shimanskaya, M. V.. "REACTIVITY OF METHYL DERIVATIVES OF NITROGENOUS HETEROCYCLES IN VAPOR-PHASE CATALYTIC OXIDATION". . p. 63 - 66. Retrieved 2007/10/02.