2-Ethyl-2-hydroxybutyric acid

Base Information

• Chemical Name: 2-Ethyl-2-hydroxybutyric acid
• CAS No.: 3639-21-2
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2918199090
• European Community (EC) Number: 222-867-6
• DSSTox Substance ID: DTXSID90189914
• Nikkaji Number: J1.825B
• Wikidata: Q83062138
• Metabolomics Workbench ID: 1504
• Mol file: 3639-21-2.mol

Synonyms:2-Et-2-HBA;2-ethyl-2-hydroxybutyric acid

Chemical Property of 2-Ethyl-2-hydroxybutyric acid

Chemical Property:

• Appearance/Colour: White crystalline powder or needles
• Vapor Pressure: 0.00324mmHg at 25°C
• Melting Point: 78-82 °C
• Refractive Index: 1.4691 (estimate)
• Boiling Point: 251.3 °C at 760 mmHg
• Flash Point: 120.1 °C
• PSA: 57.53000
• Density: 1.103 g/cm³
• LogP: 0.62210
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

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

2-Ethyl-2-hydroxybutyric acid 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(CC)(C(=O)O)O
• Uses: 2-Ethyl-2-hydroxybutyric acid was used as internal standard during quantification of medium-chain-length bacterial poly(3-hydroxyalkanoate) by gas chromatography. It was used as ligand to study the effect of anionic and cationic surfactants on kinetics of electron transfer reaction from organic sulfides to [CrV(ehba)2]- (ehba=2-ethyl-2-hydroxy butyric acid).

Technology Process of 2-Ethyl-2-hydroxybutyric acid

There total 17 articles about 2-Ethyl-2-hydroxybutyric acid 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:

ethyl iodide (75-03-6) + oxalic acid diethyl ester (95-92-1) → 2-ethyl-2-hydroxybutyric acid (3639-21-2)

Guidance literature:

With diethyl ether; iodine; zinc;

Reference yield:

Dimethyl oxalate (553-90-2) + ethyl iodide (75-03-6) → 2-ethyl-2-hydroxybutyric acid (3639-21-2)

Guidance literature:

With zinc; at 30 - 50 ℃; Verseifen des entstehenden Methylesters mit Alkalilauge oder Barytwasser;

Reference yield:

2-ethyl-2-hydroxybutanenitrile (34451-66-6) → 2-ethyl-2-hydroxybutyric acid (3639-21-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/j.bmcl.2007.06.054

upstream raw materials:

2-ethyl-2-bromo-butyric acid

2-bromo-2-ethylbutanamide

N,N'-bis-(2-ethyl-2-hydroxy-butyryl)-urea

Dimethyl oxalate

Downstream raw materials:

2-ethyl-2-hydroxy-butyric acid ethyl ester

Refernces

• 1、 Sutin, Lori,Andersson, Soeren,Bergquist, Lars,Castro, Victor M.,Danielsson, Eva,James, Stephen,Henriksson, Martin,Johansson, Lars,Kaiser, Christina,Flyren, Katarina,Williams, Meredith. "Oxazolones as potent inhibitors of 11β-hydroxysteroid dehydrogenase type 1". . p. 4837 - 4840. Retrieved 2008/02/11.