2-Oxaspiro[4.5]decan-3-one

Base Information

• Chemical Name: 2-Oxaspiro[4.5]decan-3-one
• CAS No.: 7236-78-4
• Molecular Formula: C9H14O2
• Molecular Weight: 154.209
• NSC Number: 169568
• UNII: 8TP5X2BOF8
• DSSTox Substance ID: DTXSID10222675
• Nikkaji Number: J42.597D
• Wikidata: Q83100988
• Mol file: 7236-78-4.mol

Synonyms:2-Oxaspiro[4.5]decan-3-one;7236-78-4;Godecke;GO 177;2-OXASPIRO(4.5)DECAN-3-ONE;NSC 169568;BRN 0119521;8TP5X2BOF8;beta,beta-Pentamethylene-alpha-butyrolactone;NSC-169568;Cyclohexaneacetic acid, 1-(hydroxymethyl)-, gamma-lactone;5-17-09-00205 (Beilstein Handbook Reference);3-oxaspiro[4.5]decan-2-one;UNII-8TP5X2BOF8;SCHEMBL13076899;DTXSID10222675;GO-177;NSC169568;WLN: T5OV DXTJ D-& AL6XTJ;LS-99583;EN300-160391;.beta.,.beta.-Pentamethylene-.alpha.-butyrolactone;Cyclohexaneacetic acid, 1-(hydroxymethyl)-, .gamma.-lactone;InChI=1/C9H14O2/c10-8-6-9(7-11-8)4-2-1-3-5-9/h1-7H;BUTANOIC ACID,4-HYDROXY,3,3-PENTAMETHYLENE,LACTONE BUTYROLACTONE,BETA,BETA-PENTAMETHYLENE

Chemical Property of 2-Oxaspiro[4.5]decan-3-one

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 260.483 °C at 760 mmHg
• Flash Point: 102.689 °C
• PSA: 26.30000
• Density: 1.072 g/cm³
• LogP: 1.88380
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform, Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.099379685
• Heavy Atom Count: 11
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

2-OXASPIRO-(4.5)-DECAN-3-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2(CC1)CC(=O)OC2
• Uses: γ-Butyrolactones derivative. Convulsant activity.

Technology Process of 2-Oxaspiro[4.5]decan-3-one

There total 13 articles about 2-Oxaspiro[4.5]decan-3-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: 96.0%

2-oxaspiro<3.5>nonane (185-06-8) + carbon monoxide (201230-82-2) → 2-oxaspiro<4.5>decan-3-one (7236-78-4)

Guidance literature:

With 1,2-dimethoxyethane; dicobalt octacarbonyl; hydrogen; at 100 ℃; for 16h; under 22801.5 Torr;

DOI:10.1002/cctc.202001294

Reference yield: 96.0%

→ 2-oxaspiro<4.5>decan-3-one (7236-78-4)

Guidance literature:

With dicobalt octacarbonyl; hydrogen; In 1,2-dimethoxyethane; at 100 ℃; for 16h; under 11400.8 Torr; Autoclave;

Reference yield: 86.0%

Cyclohexylmethyl diazoacetate → 2-oxaspiro<4.5>decan-3-one (7236-78-4)

Guidance literature:

dirhodium(II) tetrakis[metyl-2-oxazolidone-4(S)-carboxylate]; In dichloromethane; Heating;

DOI:10.1021/jo00115a018

upstream raw materials:

spiro<3,5>nonan-2-one

1-(1-(2-propenyl)cyclohexyl)methanol

formaldehyd

ethyl 2-oxo-2-(2-oxocyclohexyl)acetate

Downstream raw materials:

1-carboxycyclohexylacetic acid

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