Ethyl 2-hydroxybutanoate

Base Information

• Chemical Name: Ethyl 2-hydroxybutanoate
• CAS No.: 52089-54-0
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2918199090
• European Community (EC) Number: 610-779-4
• DSSTox Substance ID: DTXSID90334629
• Nikkaji Number: J117.177A
• Mol file: 52089-54-0.mol

Synonyms:Ethyl 2-hydroxybutanoate;Ethyl 2-Hydroxybutyrate;52089-54-0;2-Hydroxy-n-Butyric Acid Ethyl Ester;Butanoic acid, 2-hydroxy-, ethyl ester;2-Hydroxybutyric Acid Ethyl Ester;Ethyl .alpha.-hydroxybutyrate;Ethyl2-hydroxybutanoate;ethyl-2-hydroxybutyrate;SCHEMBL544994;DTXSID90334629;MFCD00014407;AKOS009157542;HY-W127500;AS-58224;CS-0185728;FT-0612628;H0229;DL-2-Hydroxybutyric acid ethyl ester (liquid);H-4100;T72564;A871078

Chemical Property of Ethyl 2-hydroxybutanoate

Chemical Property:

• Refractive Index: 1.4160 to 1.4200
• Boiling Point: 167 °C
• PKA: 13.21±0.20(Predicted)
• Flash Point: 62.7oC
• PSA: 46.53000
• Density: 1,01 g/cm3
• LogP: 0.32040
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 90.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 2-Hydroxybutyrate ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)OCC)O
• Uses: Ethyl 2-Hydroxybutyrate is used to prepare 1,5-diarylpyrazole derivatives with herbicidal activities. It is also used in the synthesis of antagonists benzofuranylpiperidines and benzothiophenylpiperidines.

Technology Process of Ethyl 2-hydroxybutanoate

There total 7 articles about 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: 90.0%

→ ethyl 2-hydroxybutyrate (52089-54-0) + 2-fluoro-butyric acid ethyl ester (327-46-8)

Guidance literature:

Reference yield: 30.1%

ethanol (64-17-5) + cellulose (9004-34-6) → ethyl 2-hydroxypropionate (97-64-3,2676-33-7) + ethyl 2-hydroxybutyrate (52089-54-0)

Guidance literature:

With mesoporous Zr-SBA-15 silicate; In water; at 260 ℃; for 6h; under 20686.5 Torr; Temperature; Inert atmosphere;

DOI:10.1002/cssc.201500855

Reference yield:

ethyl 2,3-epoxybutanoate (19780-35-9) → ethyl 3-hydroxybutyrate (5405-41-4) + ethyl 2-hydroxybutyrate (52089-54-0)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; Product distribution; Ambient temperature; effect of additives: HMPA, 2-PrOH, DMAE, TMEDA; examination of further epoxy esters; regio- and stereoselectivity;

DOI:10.1016/S0040-4039(00)96532-8

upstream raw materials:

ethyl 2,3-epoxybutanoate

ethanol

D-glucose

D-Fructose

Downstream raw materials:

5-ethyl-3-phenyl-oxazolidine-2,4-dione

N,N-diphenylurea

2-hydroxy-N-phenylpentanamide

2-phenylcarbamoyloxy-butyric acid

Refernces

• 1、 -. "Fluorination with aminosulfur trifluorides". . . Retrieved 2008/06/13.
• 2、 Otsubo, Kenji,Inanaga, Junji,Yamaguchi, Masaru. "SmI2-INDUCED HIGHLY REGIOSELECTIVE REDUCTION OF α,β-EPOXY ESTERS AND γ,δ-EPOXY-α,β-UNSATURATED ESTERS. AN EFFICIENT ROUTE TO OPTICALLY ACTIVE β-HYDROXY AND δ-HYDROXY ESTERS". . p. 4437 - 4440. Retrieved 2007/10/02.