2-Hydroxyethyl-2',2'-dimethylpropionate

Base Information

• Chemical Name: 2-Hydroxyethyl-2',2'-dimethylpropionate
• CAS No.: 20267-19-0
• Molecular Formula: C7H14O3
• Molecular Weight: 146.186
• DSSTox Substance ID: DTXSID40174113
• Nikkaji Number: J2.313.093I
• Wikidata: Q83044171
• Mol file: 20267-19-0.mol

Synonyms:2-Hydroxyethyl-2',2'-dimethylpropionate;20267-19-0;2-hydroxyethyl pivalate;SCHEMBL150006;DTXSID40174113;YMLMPWTWWZJGAZ-UHFFFAOYSA-N

Chemical Property of 2-Hydroxyethyl-2',2'-dimethylpropionate

Chemical Property:

• Vapor Pressure: 0.0228mmHg at 25°C
• Boiling Point: 221°Cat760mmHg
• Flash Point: 87°C
• Density: 1.007g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 113

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OCCO

Technology Process of 2-Hydroxyethyl-2',2'-dimethylpropionate

There total 3 articles about 2-Hydroxyethyl-2',2'-dimethylpropionate 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:

ethylene glycol di(2,2-dimethylpropanoate) (20267-20-3) → 2-hydroxyethyl pivalate (20267-19-0) + Trimethylacetic acid (75-98-9)

Guidance literature:

With sodium hydroxide; Pseudomonas sp. lipase; sodium chloride; at 25 ℃; pH=8.0; Enzyme kinetics;

DOI:10.1007/s11746-006-1194-y

Reference yield:

pivaloyl chloride (3282-30-2) + ethylene glycol (107-21-1) → 2-hydroxyethyl pivalate (20267-19-0) + ethylene glycol di(2,2-dimethylpropanoate) (20267-20-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1007/s11746-006-1194-y

Reference yield:

2-methoxy-2-tert-butyl-1,3-dioxolane (66822-99-9) → methanol (67-56-1) + 2-hydroxyethyl pivalate (20267-19-0)

Guidance literature:

With hydrogenchloride; phosphate buffer; water; at 25 ℃; Product distribution; Kinetics; Mechanism; rate and equilibrium constant of hydrolysis at ionic strength 0.1;

DOI:10.1021/ja00217a036

upstream raw materials:

2-methoxy-2-tert-butyl-1,3-dioxolane

ethylene glycol di(2,2-dimethylpropanoate)

pivaloyl chloride

ethylene glycol

Downstream raw materials:

ethylene glycol

Trimethylacetic acid

Refernces

• 1、 Chiou, Shyh-Ying,Cheng, Yu-Ru,Lu, Chun-Ping,Lin, Yan-Fu,Lin, Long-Yau,Lin, Gialih. "Kinetics and quantitative structure-activity relationships for pseudomonas sp. Lipase-catalyzed hydrolysis of both monoesters and diesters of ethylene glycol". . p. 201 - 207. Retrieved 2007/10/03.