3-(3,6-Bis(2-hydroxyethyl)pyrazin-2-yl)propanoic acid

Base Information

• Chemical Name: 3-(3,6-Bis(2-hydroxyethyl)pyrazin-2-yl)propanoic acid
• CAS No.: 96681-85-5
• Molecular Formula: C11H16N2O4
• Molecular Weight: 240.25600
• DSSTox Substance ID: DTXSID50538505
• Wikidata: Q82413925
• Mol file: 96681-85-5.mol

Synonyms:96681-85-5;3-(3,6-Bis(2-hydroxyethyl)pyrazin-2-yl)propanoic acid;3-[3,6-Bis(2-hydroxyethyl)pyrazin-2-yl]propanoic acid;Pyrazinepropanoic acid, 3,6-bis(2-hydroxyethyl)-;SCHEMBL5843311;DTXSID50538505;A900165;3-(3,6-Bis(2-hydroxyethyl)pyrazin-2-yl)propanoicacid

Chemical Property of 3-(3,6-Bis(2-hydroxyethyl)pyrazin-2-yl)propanoic acid

Chemical Property:

• Boiling Point: 451.3±40.0 °C(Predicted)
• PKA: 4.19±0.10(Predicted)
• PSA: 103.54000
• Density: 1.331±0.06 g/cm3(Predicted)
• LogP: -0.43660
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 240.11100700
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(C(=N1)CCO)CCC(=O)O)CCO
• Uses: An impurity of Clavulanic acid (C563750). Clavulanic acid decomposition is catalyzed by the compound itself and by its decomposition products.

Technology Process of 3-(3,6-Bis(2-hydroxyethyl)pyrazin-2-yl)propanoic acid

There total 1 articles about 3-(3,6-Bis(2-hydroxyethyl)pyrazin-2-yl)propanoic 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:

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

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