Methyl 3,6-dimethylpicolinate

Base Information

• Chemical Name: Methyl 3,6-dimethylpicolinate
• CAS No.: 215436-32-1
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.192
• DSSTox Substance ID: DTXSID80440985
• Nikkaji Number: J1.051.327H
• Wikidata: Q82257504
• Mol file: 215436-32-1.mol

Synonyms:METHYL 3,6-DIMETHYLPICOLINATE;215436-32-1;Methyl 3,6-dimethylpyridine-2-carboxylate;SCHEMBL2372967;2-Pyridinecarboxylicacid,3,6-dimethyl-,methylester(9CI);DTXSID80440985;MJTXVOHVISPNRW-UHFFFAOYSA-N;METHYL3,6-DIMETHYLPICOLINATE;SB53729;FT-0761909;3,6-dimethyl-2-Pyridinecarboxylic acid methyl ester;3,6-dimethyl-pyridine-2-carboxylic acid methyl ester

Chemical Property of Methyl 3,6-dimethylpicolinate

Chemical Property:

• PSA: 39.19000
• LogP: 1.48500
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99%, ^*data from raw suppliers

Methyl3,6-dimethylpicolinate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(C=C1)C)C(=O)OC

Technology Process of Methyl 3,6-dimethylpicolinate

There total 3 articles about Methyl 3,6-dimethylpicolinate 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: 53.2%

methanol (67-56-1) + 3,6-dimethylpicolinic acid (83282-46-6) → 3,6-dimethyl-pyridine-2-carboxylic acid methyl ester (215436-32-1)

Guidance literature:

With potassium chloride; diazomethyl-trimethyl-silane; In diethyl ether; benzene; at 20 ℃; for 1.5h;

Reference yield:

Toluene-4-sulfonic acid 2,5,9,9-tetramethyl-7,11-dioxo-8,10-dioxa-1-aza-spiro[5.5]undec-3-en-1-yl ester → 3,6-dimethyl-pyridine-2-carboxylic acid methyl ester (215436-32-1)

Guidance literature:

With N-chloro-succinimide; sodium methylate; In tetrahydrofuran; methanol; at 0 - 20 ℃; Darkness; Inert atmosphere;

DOI:10.15227/orgsyn.080.0133

Reference yield:

methanol (67-56-1) + Toluene-4-sulfonic acid 2,5,9,9-tetramethyl-7,11-dioxo-8,10-dioxa-1-aza-spiro[5.5]undec-3-en-1-yl ester → 3,6-dimethyl-pyridine-2-carboxylic acid methyl ester (215436-32-1)

Guidance literature:

With N-chloro-succinimide; sodium methylate; In tetrahydrofuran; for 13h; Yield given; Ambient temperature;

DOI:10.1021/jo981014e

upstream raw materials:

methanol

3,6-dimethylpicolinic acid

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