(3-Methyloxetan-3-yl)methyl pyridine-2-carboxylate

Base Information

• Chemical Name: (3-Methyloxetan-3-yl)methyl pyridine-2-carboxylate
• CAS No.: 810671-82-0
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.229
• DSSTox Substance ID: DTXSID70514467
• Nikkaji Number: J2.105.272H
• Wikidata: Q82374816
• Mol file: 810671-82-0.mol

Synonyms:810671-82-0;(3-Methyloxetan-3-yl)methyl picolinate;(3-Methyloxetan-3-yl)methyl pyridine-2-carboxylate;DTXSID70514467

Chemical Property of (3-Methyloxetan-3-yl)methyl pyridine-2-carboxylate

Chemical Property:

• PSA: 48.42000
• LogP: 1.27490
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC1)COC(=O)C2=CC=CC=N2

Technology Process of (3-Methyloxetan-3-yl)methyl pyridine-2-carboxylate

There total 2 articles about (3-Methyloxetan-3-yl)methyl pyridine-2-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:

3-hydroxymethyl-3-methyloxethane (3143-02-0) + picolinoyl fluoride → (3-methyloxetan-3-yl)methyl pyridine-2-carboxylate (810671-82-0)

Guidance literature:

With dmap; In dichloromethane; at 20 ℃;

DOI:10.1055/s-2004-831250

Reference yield:

2-Picolinic acid (98-98-6) → (3-methyloxetan-3-yl)methyl pyridine-2-carboxylate (810671-82-0)

Guidance literature:

Multi-step reaction with 2 steps

1: tetramethylfluoroformamidinium hexafluorophosphate; Et₃N / CH₂Cl₂ / 0.5 h / 20 °C

2: 0.492 g / DMAP / CH₂Cl₂ / 20 °C

With dmap; triethylamine; fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate; In dichloromethane;

DOI:10.1055/s-2004-831250

upstream raw materials:

3-hydroxymethyl-3-methyloxethane

2-Picolinic acid