Propanoic acid, 3-hydroxy-2,2-diMethyl-, 1,1-diMethylethyl ester

Base Information

• Chemical Name: Propanoic acid, 3-hydroxy-2,2-diMethyl-, 1,1-diMethylethyl ester
• CAS No.: 25307-76-0
• Molecular Formula: C9H18O3
• Molecular Weight: 174.24
• Mol file: 25307-76-0.mol

Synonyms:Propanoic acid, 3-hydroxy-2,2-diMethyl-, 1,1-diMethylethyl ester;tert-Butyl 3-hydroxy-2,2-dimethylpropanoate

Chemical Property of Propanoic acid, 3-hydroxy-2,2-diMethyl-, 1,1-diMethylethyl ester

Chemical Property:

• Boiling Point: 241.1±13.0 °C(Predicted)
• PKA: 14.17±0.10(Predicted)
• PSA: 46.53000
• Density: 0.977±0.06 g/cm3(Predicted)
• LogP: 1.34660

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl3-Hydroxy-2,2-dimethylpropanoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Propanoic acid, 3-hydroxy-2,2-diMethyl-, 1,1-diMethylethyl ester

There total 3 articles about Propanoic acid, 3-hydroxy-2,2-diMethyl-, 1,1-diMethylethyl ester 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: 84.0%

3-Hydroxy-2,2-dimethylpropanoic acid (4835-90-9) + 2-tert-butoxypyridine (83766-88-5) → tert-butyl 3-hydroxy-2,2-dimethylpropanoate (25307-76-0)

Guidance literature:

With boron trifluoride diethyl etherate; In toluene; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2018.05.050

Reference yield: 47.0%

1-tert-butyl 3-methyl 2,2-dimethylmalonate (85293-46-5) → tert-butyl 3-hydroxy-2,2-dimethylpropanoate (25307-76-0)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at -78 - 20 ℃; Inert atmosphere;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + tert-butyl bromoisobutyrate (23877-12-5) → tert-butyl 3-hydroxy-2,2-dimethylpropanoate (25307-76-0)

Guidance literature:

With zinc;

upstream raw materials:

formaldehyd

tert-butyl bromoisobutyrate

1-tert-butyl 3-methyl 2,2-dimethylmalonate

3-Hydroxy-2,2-dimethylpropanoic acid

Downstream raw materials:

tert-butyl 2,2-dimethyl-3-(tosyloxy)propanoate

2-(dimethylcarbamoyl)-5-(ethoxycarbonyl)-1-(4-methoxyphenyl)-1H-pyrrole-3,4-diyl bis(25,25-dimethyl-2,5,8,11,14,17,20,23-octaoxahexacosan-26-oate)

tert-butyl 3-(2-(2-(benzyloxy)ethoxy)ethoxy)-2,2-dimethylpropanoate