3-oxo-N-(2-oxooxolan-3-yl)octanamide

Base Information

• Chemical Name: 3-oxo-N-(2-oxooxolan-3-yl)octanamide
• CAS No.: 106983-27-1
• Molecular Formula: C12H19 N O4
• Molecular Weight: 241.287
• Hs Code.: 2932209090
• ChEMBL ID: CHEMBL482475
• DSSTox Substance ID: DTXSID80403631
• Metabolomics Workbench ID: 138181
• Nikkaji Number: J1.006.256J
• Wikidata: Q82207350
• Mol file: 106983-27-1.mol

Synonyms:106983-27-1;N-(3-Oxooctanoyl)-DL-homoserine lactone;3-oxo-N-(2-oxooxolan-3-yl)octanamide;N-(3X-Oxooctanoyl)-DL-homoserine lactone;(Rac)-3-oxo-C8-HSL;3-Oxo-N-(2-oxotetrahydrofuran-3-yl)octanamide;3-Oxo-N-(tetrahydro-2-oxo-3-furanyl)-octanamide;3-oxo-C8-homoserine lactone;CHEMBL482475;SCHEMBL12341644;DTXSID80403631;CHEBI:181091;MFCD12912431;AKOS038551272;MS-23417;HY-113801;CS-0062892;N-(beta-Ketooctanoyl)-DL-homoserine lactone;J-001684;N-(3-Oxooctanoyl)-DL-homoserine lactone, >=97% (HPLC), white powder

Chemical Property of 3-oxo-N-(2-oxooxolan-3-yl)octanamide

Chemical Property:

• PSA: 72.47000
• LogP: 1.34850
• Storage Temp.: ?20°C
• Solubility.: chloroform: soluble50mg/mL, clear, very faintly yellow
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 241.13140809
• Heavy Atom Count: 17
• Complexity: 301

Purity/Quality:

98.5% ^*data from raw suppliers

N-(3-Oxooctanoyl)-DL-homoserine lactone ≥97% (HPLC), white powder ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CC(=O)NC1CCOC1=O

Technology Process of 3-oxo-N-(2-oxooxolan-3-yl)octanamide

There total 1 articles about 3-oxo-N-(2-oxooxolan-3-yl)octanamide 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:

α-amino-γ-butyrolactone hydrobromide (6305-38-0) + 2,2-dimethyl-5-(1-oxohexyl)-1,3-dioxane-4,6-dione (254907-27-2) → (±)-N-(3-oxooctanoyl)homoserine lactone (106983-27-1)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 5h; Reflux;

DOI:10.1021/np800127b

Reference yield:

(±)-N-(3-oxooctanoyl)homoserine lactone (106983-27-1) → 4-butanolide (96-48-0) + n-pentyl methyl ketone (110-43-0) + 3-oxo-octanal (3223-40-3) + 3-oxooctanamide (768402-48-8) + 2-aminobutyrolactone (1192-20-7)

Guidance literature:

With Calibrin Z; at 25 ℃; for 0.5h; Reagent/catalyst; Temperature; Catalytic behavior;

DOI:10.1021/acs.jafc.7b03918

upstream raw materials:

α-amino-γ-butyrolactone hydrobromide

2,2-dimethyl-5-(1-oxohexyl)-1,3-dioxane-4,6-dione

Downstream raw materials:

4-butanolide

n-pentyl methyl ketone

3-oxo-octanal

3-oxooctanamide

Refernces