5-Methylpyridine-3-carboxaldehyde

Base Information

• Chemical Name: 5-Methylpyridine-3-carboxaldehyde
• CAS No.: 100910-66-5
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Hs Code.: 2933399090
• European Community (EC) Number: 879-041-9
• DSSTox Substance ID: DTXSID30556449
• Nikkaji Number: J1.700.205H
• Wikidata: Q72496581
• Mol file: 100910-66-5.mol

Synonyms:5-Methyl-3-pyridinecarboxaldehyde;Nicotinaldehyde,5-methyl- (6CI);

Chemical Property of 5-Methylpyridine-3-carboxaldehyde

Chemical Property:

• Vapor Pressure: 0.071mmHg at 25°C
• Melting Point: 37 °C
• Refractive Index: 1.563
• Boiling Point: 228.933 °C at 760 mmHg
• PKA: 3.72±0.20(Predicted)
• Flash Point: 97.693 °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:

97% ^*data from raw suppliers

5-Methylnicotinaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1)C=O

Technology Process of 5-Methylpyridine-3-carboxaldehyde

There total 11 articles about 5-Methylpyridine-3-carboxaldehyde 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: 99.0%

N-methoxy-N,5-dimethylnicotinamide (342602-12-4) → 5-methyl-3-pyridinecarboxaldehyde (100910-66-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -78 ℃; for 0.5h;

Reference yield: 89.0%

5-methylnicotinic acid methyl ester (29681-45-6) → 5-methyl-3-pyridinecarboxaldehyde (100910-66-5)

Guidance literature:

5-methylnicotinic acid methyl ester; With diisobutylaluminium hydride; In toluene; at -78 ℃; for 1h;

With hydrogenchloride; In diethyl ether; water; toluene;

With sodium hydrogencarbonate; In diethyl ether; water; toluene;

DOI:10.1021/bi1012518

Reference yield: 85.0%

(5-methylpyridin-3-yl)methanol (102074-19-1) → 5-methyl-3-pyridinecarboxaldehyde (100910-66-5)

Guidance literature:

With manganese(IV) oxide; at 20 ℃;

upstream raw materials:

(5-methylpyridin-3-yl)methanol

5-Formyl-3-methyl-2H-pyridine-1-carboxylic acid phenyl ester

3,5-Lutidine

5-methylnicotinic acid methyl ester

Downstream raw materials:

6-fluoro-2-tert-butyl-4-benzooxazolyl-5'-methyl-3'-pyridylcarbinol

(2-Amino-3,5-difluoro-phenyl)-(5-methyl-pyridin-3-yl)-methanone

2-Amino-3-cyano-4-(5-methyl-pyridin-3-yl)-4H-indolo[7,6-b]pyran