2,5-Pyrazinediethanol, 3-ethyl-

Base Information

• Chemical Name: 2,5-Pyrazinediethanol, 3-ethyl-
• CAS No.: 86917-74-0
• Molecular Formula: C10H16N2O2
• Molecular Weight: 196.24600
• UNII: VGU6W99Y9W
• DSSTox Substance ID: DTXSID40432528
• Mol file: 86917-74-0.mol

Synonyms:86917-74-0;2,5-Pyrazinediethanol, 3-ethyl-;3-Ethyl-2,5-pyrazinediethanol;2,2'-(3-Ethylpyrazine-2,5-diyl)diethanol;2-[6-ETHYL-5-(2-HYDROXYETHYL)PYRAZIN-2-YL]ETHANOL;3-Ethyl-2,5-bis(2-hydroxyethyl)pyrazine;VGU6W99Y9W;SCHEMBL6887853;DTXSID40432528;AKOS006302236;FT-0668382;A900033;2-[6-ethyl-5-(2-hydroxyethyl)pyrazin-2-yl]ethan-1-ol;2,5-Pyrazinediethanol,3-ethyl

Chemical Property of 2,5-Pyrazinediethanol, 3-ethyl-

Chemical Property:

• Melting Point: 57 - 60°C
• Boiling Point: 334.5±37.0 °C(Predicted)
• PKA: 14.24±0.10(Predicted)
• PSA: 66.24000
• Density: 1.158±0.06 g/cm3(Predicted)
• LogP: 0.10860
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.121177757
• Heavy Atom Count: 14
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

3-Ethyl-2,5-pyrazinediethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(=CN=C1CCO)CCO
• Uses: 3-Ethyl-2,5-pyrazinediethanol (Clavulanate Potassium EP Impurity C) is an impurity of Clavulanic acid (C563750). High concentrations of Clavulanic acid but not of its degradation products decrease glycerol consumption and oxygen uptake rates in cultures of Streptomyces clavuligerus.

Technology Process of 2,5-Pyrazinediethanol, 3-ethyl-

There total 3 articles about 2,5-Pyrazinediethanol, 3-ethyl- 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: 10.0%

potassium clavulanate (61177-45-5) → 2,5-bis(2-hydroxyethyl)pyrazine (4744-51-8) + 3-ethyl-2,5-di-(2-hydroxyethyl)-pyrazine (86917-74-0)

Guidance literature:

With water; at 40 ℃; for 72h; pH 6.9;

Reference yield: 8.0%

acetaldehyde (75-07-0,9002-91-9) + 1-amino-4-hydroxybutan-2-one hydrochloride (92632-79-6) → 2,5-bis(2-hydroxyethyl)pyrazine (4744-51-8) + 3-ethyl-2,5-di-(2-hydroxyethyl)-pyrazine (86917-74-0)

Guidance literature:

With sodium hydrogencarbonate; In water; for 24h;

Reference yield:

potassium clavulanate (61177-45-5) → 2,5-bis(2-hydroxyethyl)pyrazine (4744-51-8) + 3-ethyl-2,5-di-(2-hydroxyethyl)-pyrazine (86917-74-0) + 3-methyl-2,5-bis-(2-hydroxyethyl)pyrazine (96681-84-4) + 3-(2-carboxyethyl)-2,5-bis-(2-hydroxyethyl)pyrazine (96681-85-5)

Guidance literature:

With disodium hydrogenphosphate; In water; at 50 ℃; for 6h; Product distribution; Mechanism; various temp.;

DOI:10.1248/cpb.33.218

upstream raw materials:

potassium clavulanate

acetaldehyde

1-amino-4-hydroxybutan-2-one hydrochloride

Refernces

• 1、 Finn, Malcolm J.,Harris, Michael A.,Hunt, Eric,Zomaya, Iskander I.. "Studies on the Hydrolysis of Clavulanic Acid". . p. 1345 - 1349. Retrieved 2007/10/02.