Ethyl 2-ethyl-2-hydroxybutanoate

Base Information

• Chemical Name: Ethyl 2-ethyl-2-hydroxybutanoate
• CAS No.: 5582-86-5
• Molecular Formula: C₈H₁₆O₃
• Molecular Weight: 160.213
• European Community (EC) Number: 654-889-0
• NSC Number: 166288
• DSSTox Substance ID: DTXSID70304562
• Wikidata: Q82050564
• Mol file: 5582-86-5.mol

Synonyms:ethyl 2-ethyl-2-hydroxybutanoate;5582-86-5;NSC166288;SCHEMBL3430619;DTXSID70304562;AKOS011496338;NSC-166288;FT-0765430

Chemical Property of Ethyl 2-ethyl-2-hydroxybutanoate

Chemical Property:

• Vapor Pressure: 0.191mmHg at 25°C
• Boiling Point: 186°Cat760mmHg
• Flash Point: 64.6°C
• PSA: 46.53000
• Density: 0.991g/cm³
• LogP: 1.10060
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

99%min ^*data from raw suppliers

ETHYL 2,2-DIETHYLGLYCOLATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)(C(=O)OCC)O

Technology Process of Ethyl 2-ethyl-2-hydroxybutanoate

There total 18 articles about Ethyl 2-ethyl-2-hydroxybutanoate 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:

ethylmagnesium bromide (925-90-6) + oxalic acid diethyl ester (95-92-1) → 2-ethyl-2-hydroxy-butyric acid ethyl ester (5582-86-5)

Guidance literature:

In diethyl ether; at 0 ℃; for 0.5h;

DOI:10.1002/oms.1210230202

Reference yield:

pentan-3-one (96-22-0) → 2-ethyl-2-hydroxy-butyric acid ethyl ester (5582-86-5)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. H₂SO₄ / 20 °C

2: conc. HCl / Heating

3: HCl / Heating

With hydrogenchloride; sulfuric acid;

DOI:10.1016/j.bmcl.2007.06.054

Reference yield:

2-ethyl-2-hydroxybutanenitrile (34451-66-6) → 2-ethyl-2-hydroxy-butyric acid ethyl ester (5582-86-5)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. HCl / Heating

2: HCl / Heating

With hydrogenchloride;

DOI:10.1016/j.bmcl.2007.06.054

upstream raw materials:

2-ethyl-2-hydroxybutanenitrile

ethanol

ethyl iodide

oxalic acid diethyl ester

Downstream raw materials:

5,5-Diethyl-2,4-oxazolidinedione

(E)-2-ethyl-2-butenoic acid

Refernces

• 1、 Zahorszky, U. I.. "Bifunctional Even-electron Ions III. Fragmentation Behaviour of aliphatic Hydroxonium Ions Containing an Additional Carbomethoxy Group". . p. 63 - 69. Retrieved 2007/10/02.