Ethyl 3-hydroxy-2,2-dimethylpropanoate

Base Information

• Chemical Name: Ethyl 3-hydroxy-2,2-dimethylpropanoate
• CAS No.: 14002-73-4
• Molecular Formula: C7H14O3
• Molecular Weight: 146.186
• Hs Code.: 2918199090
• European Community (EC) Number: 881-461-2
• NSC Number: 120479
• DSSTox Substance ID: DTXSID30298079
• Wikidata: Q82039675
• Mol file: 14002-73-4.mol

Synonyms:ethyl 3-hydroxy-2,2-dimethylpropanoate;14002-73-4;MFCD21643853;Propanoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester;NSC120479;SCHEMBL1164946;DTXSID30298079;JBDMHPJPFPMZLI-UHFFFAOYSA-N;AKOS015998925;ethyl3-hydroxy-2,2-dimethylpropanoate;CS-W022673;NSC-120479;ethyl 3-hydroxy-2,2-dimethyl propanoate;Ethyl 3-hydroxy-2,2-dimethyl propionate;DS-18488;SY104896;FT-0711346;EN300-1296880;2,2-dimethyl-3-hydroxypropionic acid ethyl ester;A885922

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

Chemical Property:

• Vapor Pressure: 0.0316mmHg at 25°C
• Boiling Point: 215.7°Cat760mmHg
• Flash Point: 83.8°C
• PSA: 46.53000
• Density: 1.007g/cm³
• LogP: 0.56800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-hydroxy-2,2-dimethylpropanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)CO

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

There total 7 articles about Ethyl 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: 68.0%

3-Hydroxy-2,2-dimethylpropanoic acid (4835-90-9) + ethyl iodide (75-03-6) → 3-hydroxy-2,2-dimethyl-propionic acid ethyl ester (14002-73-4)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 50 - 70 ℃;

Reference yield:

ethanol (64-17-5) + 3-Hydroxy-2,2-dimethylpropanoic acid (4835-90-9) → 3-hydroxy-2,2-dimethyl-propionic acid ethyl ester (14002-73-4)

Guidance literature:

With hydrogenchloride;

Reference yield:

ethyl 2-bromoisobutyrate (600-00-0) → 3-hydroxy-2,2-dimethyl-propionic acid ethyl ester (14002-73-4)

Guidance literature:

With zinc; benzene;

upstream raw materials:

ethanol

3-Hydroxy-2,2-dimethylpropanoic acid

ethyl 2-bromoisobutyrate

formaldehyd

Downstream raw materials:

2,2-dimethylpentane-1,3-diol

ethylene glycol

Ethyl tiglate

2,2-Dimethyl-3-(toluene-4-sulfonyloxy)-propionic acid ethyl ester