Benzyl 3-hydroxy-2,2-dimethylpropanoate

Base Information

• Chemical Name: Benzyl 3-hydroxy-2,2-dimethylpropanoate
• CAS No.: 17701-61-0
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• European Community (EC) Number: 888-227-9
• DSSTox Substance ID: DTXSID90596508
• Nikkaji Number: J3.493.000G
• Wikidata: Q82491782
• Mol file: 17701-61-0.mol

Synonyms:BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE;17701-61-0;benzyl 3-hydroxy-2,2-dimethylpropionate;MFCD09951815;Propanoic acid, 2-(hydroxymethyl)-2-methyl-, phenylmethyl ester;Benzyl Hydroxypivalate;SCHEMBL621696;3-Hydroxy-2,2-dimethyl-propionic acid benzyl ester;DTXSID90596508;PLZZXRKTRWITII-UHFFFAOYSA-N;AKOS026673551;DS-9883;s10582;benzyl 3-hydroxy-2,2-dimethyl-propanoate;DA-35091;SY040453;CS-0154606;Phenylmethyl 3-hydroxy-2,2-dimethylpropanoate;BENZYL3-HYDROXY-2,2-DIMETHYLPROPANOATE;EN300-187423;3-hydroxy-2,2-dimethylpropionic acid benzyl ester;A881484

Chemical Property of Benzyl 3-hydroxy-2,2-dimethylpropanoate

Chemical Property:

• PSA: 46.53000
• LogP: 1.74830
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

Benzyl3-Hydroxy-2,2-dimethylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)C(=O)OCC1=CC=CC=C1

Technology Process of Benzyl 3-hydroxy-2,2-dimethylpropanoate

There total 9 articles about Benzyl 3-hydroxy-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: 100.0%

3-Hydroxy-2,2-dimethylpropanoic acid (4835-90-9) + benzyl bromide (100-39-0) → benzyl 2,2-dimethyl-3-hydroxypropanoic acid (17701-61-0)

Guidance literature:

With potassium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 92.0%

→ benzyl 2,2-dimethyl-3-hydroxypropanoic acid (17701-61-0)

Guidance literature:

Reference yield: 28.0%

3-Hydroxy-2,2-dimethylpropanoic acid (4835-90-9) + 2,4,6-tris(benzyloxy)-1,3,5-triazine (7285-83-8) → benzyl 2,2-dimethyl-3-hydroxypropanoic acid (17701-61-0)

Guidance literature:

In 1,2-dichloro-benzene; at 180 ℃; for 4h;

DOI:10.1002/ejoc.201501172

upstream raw materials:

3-Hydroxy-2,2-dimethylpropanoic acid

benzyl bromide

Methyl 2,2-dimethyl-3-hydroxypropionate

cesium salt of 2,2-dimethyl-3-hydroxypropionic acid

Downstream raw materials:

benzyl 2,2-dimethyl-3-oxopropanoate

benzyl 3-((1,3-dioxoisoindolin-2-yl)oxy)-2,2-dimethylpropanoate

4-(2-benzyloxycarbonyl-2-methylpropoxy)benzaldehyde

benzyl 3-(2-cyano-3-nitrophenoxy)-2,2-dimethylpropanoate