Pyridin-2-yl 2,2-dimethylpropanoate

Base Information

• Chemical Name: Pyridin-2-yl 2,2-dimethylpropanoate
• CAS No.: 59658-05-8
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• DSSTox Substance ID: DTXSID80521162
• Mol file: 59658-05-8.mol

Synonyms:2,2-dimethyl-propionic acid pyridin-2-yl ester;Pyridin-2-yl 2,2-dimethylpropanoate;2-pivaloyloxypyridine;59658-05-8;SCHEMBL11717509;DTXSID80521162;YCKZWZJJWVSHOG-UHFFFAOYSA-N

Chemical Property of Pyridin-2-yl 2,2-dimethylpropanoate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC1=CC=CC=N1

Technology Process of Pyridin-2-yl 2,2-dimethylpropanoate

There total 3 articles about Pyridin-2-yl 2,2-dimethylpropanoate 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: 45.0%

benzyl alcohol (100-51-6,185532-71-2) + Trimethylacetic acid (75-98-9) → 2-hydroxypyridin (142-08-5) + benzyl pivalate (2094-69-1) + 2,2-dimethylpropanoic anhydride (1538-75-6) + 2-pivaloyloxypyridine (59658-05-8)

Guidance literature:

With 2,2'-dipyridyl carbonate; dmap; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1016/S0040-4039(01)91265-1

Reference yield: 28.0%

Trimethylacetic acid (75-98-9) → 2-hydroxypyridin (142-08-5) + benzyl pivalate (2094-69-1) + 2,2-dimethylpropanoic anhydride (1538-75-6) + 2-pivaloyloxypyridine (59658-05-8)

Guidance literature:

With 2,2'-dipyridyl carbonate; benzyl alcohol; dmap; In dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(01)91265-1

Reference yield: 28.0%

2,2'-dipyridyl carbonate (1659-31-0) + Trimethylacetic acid (75-98-9) → 2-hydroxypyridin (142-08-5) + benzyl pivalate (2094-69-1) + 2,2-dimethylpropanoic anhydride (1538-75-6) + 2-pivaloyloxypyridine (59658-05-8)

Guidance literature:

With benzyl alcohol; dmap; In dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(01)91265-1

upstream raw materials:

benzyl alcohol

Trimethylacetic acid

2,2'-dipyridyl carbonate

Downstream raw materials:

pivalic acid phenyl ester

3-Ethyl-3-pentyl pivalate