4-Chloro-6-methylpicolinaldehyde

Base Information

• Chemical Name: 4-Chloro-6-methylpicolinaldehyde
• CAS No.: 98273-77-9
• Molecular Formula: C₇H₆ClNO
• Molecular Weight: 155.584
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60594253
• Mol file: 98273-77-9.mol

Synonyms:4-Chloro-6-methylpicolinaldehyde;98273-77-9;4-chloro-6-methylpyridine-2-carbaldehyde;SCHEMBL6551038;DTXSID60594253;YDA27377;AKOS006227930;AB40806;AC-27095;DS-16037;DB-358202;C77358;A858565

Chemical Property of 4-Chloro-6-methylpicolinaldehyde

Chemical Property:

• Melting Point: 52-54 °C
• Boiling Point: 217.8±35.0 °C(Predicted)
• PKA: 2.02±0.10(Predicted)
• PSA: 29.96000
• Density: 1.269±0.06 g/cm3(Predicted)
• LogP: 1.85590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-6-methylpicolinaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=N1)C=O)Cl

Technology Process of 4-Chloro-6-methylpicolinaldehyde

There total 6 articles about 4-Chloro-6-methylpicolinaldehyde 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: 74.0%

4-chloro-2-methyl-6-(1,3,5-trioxan-2-yl)pyridine → 4-chloro-6-methylpicolinaldehyde (98273-77-9)

Guidance literature:

With boron trichloride; In dichloromethane; at 0 - 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02453

Reference yield:

4-Chloro-2-hydroxymethyl-6-methylpyridine (98280-32-1) → 4-chloro-6-methylpicolinaldehyde (98273-77-9)

Guidance literature:

With 1,4-dioxane; selenium(IV) oxide;

Reference yield:

4-chIoro-2-methylpyridine (3678-63-5) → 4-chloro-6-methylpicolinaldehyde (98273-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (Bu₄N)₂S₂O₈; trifluoroacetic acid / dichloromethane / 50 °C / Inert atmosphere

2: boron trichloride / dichloromethane / 0.17 h / 0 - 20 °C / Inert atmosphere

With boron trichloride; (Bu₄N)₂S₂O₈; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/acs.orglett.8b02453

upstream raw materials:

4-Chloro-2-hydroxymethyl-6-methylpyridine

4-chloro-2,6-lutidine

2,6-dimethyl-4-chloropyridine N-oxide

4-chIoro-2-methylpyridine