Methyl 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxylate

Base Information

• Chemical Name: Methyl 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxylate
• CAS No.: 77825-10-6
• Molecular Formula: C10H12ClNO2
• Molecular Weight: 213.66100
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20507061
• Wikidata: Q82363089
• Mol file: 77825-10-6.mol

Synonyms:Methyl 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxylate;DTXSID20507061

Chemical Property of Methyl 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxylate

Chemical Property:

• Melting Point: 44.5-45 °C
• Boiling Point: 299.8±40.0 °C(Predicted)
• PKA: 3.86±0.20(Predicted)
• PSA: 39.19000
• Density: 1.181±0.06 g/cm3(Predicted)
• LogP: 2.22380
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

95% ^*data from raw suppliers

Ethyl5-(chloromethyl)-2,6-dimethylnicotinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=N1)C)CCl)C(=O)OC

Technology Process of Methyl 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxylate

There total 3 articles about Methyl 5-(chloromethyl)-2,6-dimethylpyridine-3-carboxylate 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: 95.0%

3-carbomethoxy-5-(hydroxymethyl)-2,6-dimethylpyridine (77825-09-3) → 3-carbomethoxy-5-(chloromethyl)-2,6-dimethylpyridine (77825-10-6)

Guidance literature:

With thionyl chloride; for 2h; Ambient temperature;

DOI:10.1021/ja00321a031

Reference yield:

dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate (27525-74-2) → 3-carbomethoxy-5-(chloromethyl)-2,6-dimethylpyridine (77825-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄, sodium sulfate / tetrahydrofuran

2: 95 percent / thionyl chloride / 2 h / Ambient temperature

With lithium aluminium tetrahydride; thionyl chloride; sodium sulfate; In tetrahydrofuran;

DOI:10.1021/ja00321a031

Reference yield:

2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester (1149-24-2) → 3-carbomethoxy-5-(chloromethyl)-2,6-dimethylpyridine (77825-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) LiAlH₄, sodium sulfate / 1.) THF, 0 deg C, 15 min; 2.) reflux, 12 h, THF

2: 95 percent / thionyl chloride / 2 h / Ambient temperature

With lithium aluminium tetrahydride; thionyl chloride; sodium sulfate;

DOI:10.1021/ja00321a031

upstream raw materials:

3-carbomethoxy-5-(hydroxymethyl)-2,6-dimethylpyridine

2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester

dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate

Downstream raw materials:

C₁₈H₂₀N₃⁽¹⁺⁾*C₉H₁₁O₃S^(1-)

C₁₈H₂₀N₃⁽¹⁺⁾*C₉H₁₁O₃S^(1-)

N,N'-dimethyl 5,12-diaza<2₄>(1,2,4,5)cyclophanebis(onium) bis(p-toluenesulfonate)

N,N'-dimethyl 5,15-diaza<2₄>(1,2,4,5)cyclophanebis(onium) bis(p-toluenesulfonate)

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