2-Oxaspiro[4.4]nonan-1-one

Base Information

• Chemical Name: 2-Oxaspiro[4.4]nonan-1-one
• CAS No.: 5732-98-9
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.182
• European Community (EC) Number: 960-900-2
• UNII: NV69Y2VS3N
• ChEMBL ID: CHEMBL330370
• DSSTox Substance ID: DTXSID90574422
• Nikkaji Number: J574.611F
• Wikidata: Q82463453

Synonyms:2-Oxaspiro[4.4]nonan-1-one;5732-98-9;NV69Y2VS3N;CHEMBL330370;2-oxaspiro[4.4]nonane-1-one;SCHEMBL11055887;DTXSID90574422;PD180642;EN300-142118;Z1716391095

Chemical Property of 2-Oxaspiro[4.4]nonan-1-one

Chemical Property:

• Vapor Pressure: 2.59E-07mmHg at 25°C
• Boiling Point: 405.8°C at 760 mmHg
• Flash Point: 199.2°C
• PSA: 26.30000
• Density: 1.261g/cm³
• LogP: 1.49370
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

2-oxaspiro[4.4]nonan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)CCOC2=O

Technology Process of 2-Oxaspiro[4.4]nonan-1-one

There total 5 articles about 2-Oxaspiro[4.4]nonan-1-one 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: 69.0%

3-(4-Chloro-butyl)-2-oxo-tetrahydro-furan-3-carboxylic acid methyl ester → 2-oxaspiro[4,4]nonan-1-one (5732-98-9)

Guidance literature:

With lithium chloride; In N,N,N,N,N,N-hexamethylphosphoric triamide; Heating;

DOI:10.1039/c39810000030

Reference yield: 60.0%

2-(1-Cyclohexenyl)ethanol (3197-68-0) → 2-oxaspiro[4,4]nonan-1-one (5732-98-9)

Guidance literature:

With thallium(III) nitrate; In pentane; at 20 ℃; for 48h;

DOI:10.1080/00397910008087377

Reference yield:

Cyclopropylidene cyclopentane (14949-48-5) → 2-oxo-1-azaspiro<4.4>nonane (63941-21-9) + 2-oxaspiro[4,4]nonan-1-one (5732-98-9) + spiro[3.4]octan-5-one (37609-31-7) + 1-(1-Amino-cyclopentyl)-cyclopropanol (84565-30-0)

Guidance literature:

With dihydrogen peroxide; sodium hydrogencarbonate; benzonitrile; In methanol;

DOI:10.1016/S0040-4039(00)88659-1

upstream raw materials:

2-oxaspiro[4.4]nonane-1,3-dione

Cyclopropylidene cyclopentane

2-(1-Cyclohexenyl)ethanol

1-(carboxymethyl)cyclopentanecarboxylic acid

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