6-Methylnicotinaldehyde

Base Information

• Chemical Name: 6-Methylnicotinaldehyde
• CAS No.: 53014-84-9
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Hs Code.: 29333990
• European Community (EC) Number: 687-010-4
• DSSTox Substance ID: DTXSID00436527
• Nikkaji Number: J1.442.745G
• Wikidata: Q72479329
• Mol file: 53014-84-9.mol

Synonyms:6-methylnicotinaldehyde;53014-84-9;2-Methyl-5-formylpyridine;6-methylpyridine-3-carbaldehyde;6-Methyl-pyridine-3-carbaldehyde;3-Formyl-6-Methyl-Pyridine;6-Methylpyridine-3-carboxaldehyde;5-Formyl-2-methylpyridine;5-FORMYL-2-PICOLINE;MFCD08272279;3-PYRIDINECARBOXALDEHYDE, 6-METHYL-;3-formyl-6-methylpyridine;6-METHYL-3-PYRIDINECARBOXALDEHYDE;6-methyl-3-formylpyridine;6-Methyl-3-pyridinaldehyde;2-methyl-5-formyl pyridine;2-methylpyridine-5-aldehyde;6-methyl-3-pyridine aldehyde;SCHEMBL459168;6-methyl-3-pyridinecarbaldehyde;2-methylpyridin-5-carboxaldehyde;6-methyl-3-pyridincarboxaldehyde;6-Methylpyridyl-3-carboxaldehyde;2-methylpyridine-5-carboxaldehyde;DTXSID00436527;2-Methyl-5-pyridinecarboxaldehyde;6-methyl-3-pyridin-carboxaldehyde;IMWMEIWYPWVABQ-UHFFFAOYSA-N;6-methyl-pyridine-3-carboxaldehyde;(6-methyl-pyridin-3-yl)-methanone;BCP04829;CS-D0589;BBL102686;STL556491;AKOS008901407;AC-8101;PB17503;PS-5195;6-Methylpyridine-3-carboxaldehyde, 97%;SY028284;A7724;AM20061285;FT-0649831;M2654;EN300-52398;J-518925;Z744849420

Chemical Property of 6-Methylnicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.162mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 213.704 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 87.556 °C
• PSA: 29.96000
• Density: 1.095 g/cm³
• LogP: 1.20250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• 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

6-Methylnicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=C(C=C1)C=O

Technology Process of 6-Methylnicotinaldehyde

There total 13 articles about 6-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: 85.0%

6-methyl-3-pyridinemethanol (34107-46-5) → 2-methyl-5-formylpyridine (53014-84-9)

Guidance literature:

6-methyl-3-pyridinemethanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -60 ℃; for 1.33333h;

With triethylamine; In dichloromethane; at -60 - 20 ℃; for 0.166667h;

Reference yield: 85.0%

5-bromo-2-methylpyridine (3430-13-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-methyl-5-formylpyridine (53014-84-9)

Guidance literature:

5-bromo-2-methylpyridine; With n-butyllithium; isopropylmagnesium chloride; In tetrahydrofuran; hexane; at -10 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1016/j.tetlet.2006.01.095

Reference yield: 16.0%

dihydroxy-methyl-borane (13061-96-6) + 6-bromonicotinaldehyde (149806-06-4) → 2-methyl-5-formylpyridine (53014-84-9)

Guidance literature:

upstream raw materials:

6-methyl-pyridine-3-carbaldehyde semicarbazone

6-methyl-3-pyridinemethanol

2,5-dimethylpyridine

N-methoxy-N-methyl-6-methylnicotinamide

Downstream raw materials:

1-(6-methyl-3-pyridinyl)-1-(aminophenyl)methanodiphenylphosphonic acid

C₂₂H₂₂N₄O

C₂₇H₃₃N₃O₃

2-(4-(4-((6-methylpyridin-3-yl)methyl)piperazin-1-yl)phenyl)benzo[d]oxazole

Refernces

• 1、 -. "2 - methyl - 5 - vinyl pyridine synthesis method (by machine translation)". Paragraph 0030; 0035; 0040; 0045; 0050; 0055; 0060. . Retrieved 2017/08/27.
• 2、 -. "PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION". Paragraph 00595. . Retrieved 2016/08/23.