Deoxyneo-beta-hydroxyaspergillic acid

Base Information

• Chemical Name: Deoxyneo-beta-hydroxyaspergillic acid
• CAS No.: 40034-14-8
• Molecular Formula: C₁₂H₂₀N₂O₂
• Molecular Weight: 224.303
• UNII: G40O06336Q
• DSSTox Substance ID: DTXSID90701514
• Nikkaji Number: J152.407K
• Wikidata: Q27278705
• Metabolomics Workbench ID: 119042
• Mol file: 40034-14-8.mol

Synonyms:Deoxyneo-beta-hydroxyaspergillic acid;40034-14-8;G40O06336Q;UNII-G40O06336Q;3-Hydroxy-2-(2-methylpropyl)-5-(2-hydroxy-2-methylpropyl)pyrazin;2(1H)-Pyrazinone, 6-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-;DTXSID90701514;DEOXYNEO-.BETA.-HYDROXYASPERGILLIC ACID;Q27278705;6-(2-Hydroxy-2-methylpropyl)-3-(2-methylpropyl)pyrazin-2(1H)-one

Chemical Property of Deoxyneo-beta-hydroxyaspergillic acid

Chemical Property:

• PSA: 65.98000
• LogP: 1.28180
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 224.152477885
• Heavy Atom Count: 16
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=NC=C(NC1=O)CC(C)(C)O

Technology Process of Deoxyneo-beta-hydroxyaspergillic acid

There total 2 articles about Deoxyneo-beta-hydroxyaspergillic 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:

→ Deoxyneo-β-hydroxyaspergillinsaeure (40034-14-8)

Guidance literature:

2-Methoxyverb. (IX), MeMgJ;

DOI:10.1248/cpb.27.1378

Reference yield:

→ Deoxyneo-β-hydroxyaspergillic Acid (AO-3) (40034-14-8)

Guidance literature:

Pyrazin-Metabolit, isoliert aus Aspergillus ochraceus;