3,5-Dimethylisonicotinaldehyde

Base Information

• Chemical Name: 3,5-Dimethylisonicotinaldehyde
• CAS No.: 201286-64-8
• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.166
• Hs Code.: 2933399090
• European Community (EC) Number: 819-410-3
• DSSTox Substance ID: DTXSID40376635
• Wikidata: Q72471839
• Mol file: 201286-64-8.mol

Synonyms:201286-64-8;3,5-DIMETHYLISONICOTINALDEHYDE;3,5-dimethylpyridine-4-carbaldehyde;3,5-DIMETHYLPYRIDINE-4-CARBOXALDEHYDE;SCHEMBL1044209;DTXSID40376635;YGGVZAGIBPEDDT-UHFFFAOYSA-N;3,5-Dimethyl-pyridine-4-carbaldehyde;AKOS006229137;AB24811;CS-0307976;FT-0645982;EN300-103163;A814266;Z1198168749

Chemical Property of 3,5-Dimethylisonicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.0189mmHg at 25°C
• Boiling Point: 252.8 ºC at 760 mmHg
• PKA: 3.83±0.28(Predicted)
• Flash Point: 113.3ºC
• PSA: 29.96000
• Density: 1.065 g/cm³
• LogP: 1.51090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dimethylisonicotinaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=CC(=C1C=O)C

Technology Process of 3,5-Dimethylisonicotinaldehyde

There total 4 articles about 3,5-Dimethylisonicotinaldehyde 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: 55.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,5-dimethylpyridine-4-carbaldehyde (201286-64-8)

Guidance literature:

4-bromo-3,5-dimethylpyridine; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -78 - 20 ℃;

Reference yield:

4-bromo-3,5-dimethylpyridine (201286-65-9) → 3,5-dimethylpyridine-4-carbaldehyde (201286-64-8)

Guidance literature:

With n-butyllithium; ammonium chloride; In N-methyl-acetamide; diethyl ether;

Reference yield:

4-bromo-3,5-dimethylpyridine (201286-65-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,5-dimethylpyridine-4-carbaldehyde (201286-64-8)

Guidance literature:

4-bromo-3,5-dimethylpyridine; With n-butyllithium; In diethyl ether; hexane; at -78 ℃;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -78 - 25 ℃; for 16h;

DOI:10.1002/anie.201502960

upstream raw materials:

4-bromo-3,5-dimethylpyridine

N,N-dimethyl-formamide

3,5-Lutidine