1,4-Dioxaspiro[4.5]decan-6-one

Base Information

• Chemical Name: 1,4-Dioxaspiro[4.5]decan-6-one
• CAS No.: 4746-96-7
• Molecular Formula: C8H12 O3
• Molecular Weight: 156.181
• DSSTox Substance ID: DTXSID20493011
• Wikidata: Q72459705
• Mol file: 4746-96-7.mol

Synonyms:1,4-dioxaspiro[4.5]decan-6-one;4746-96-7;cyclohexanedione monoethylene ketal;SCHEMBL940164;Cyclohexandione monoethyleneketal;cyclohexanedione monoethyleneketal;cyclohexanedion monoethylene ketal;DTXSID20493011;FGXQQTSLFAVOCN-UHFFFAOYSA-N;1,4-dioxaspiro[4.5]decan-6-on;AC6200;MFCD18251005;AB74092;SY249431;A914746

Chemical Property of 1,4-Dioxaspiro[4.5]decan-6-one

Chemical Property:

• Boiling Point: 115-116 °C(Press: 22 Torr)
• PSA: 35.53000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 0.87260
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

KX003108:1,4-Dioxa-spiro[4.5]decan-6-one 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C(=O)C1)OCCO2

Technology Process of 1,4-Dioxaspiro[4.5]decan-6-one

There total 12 articles about 1,4-Dioxaspiro[4.5]decan-6-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: 90.0%

2-Hydroxy-1-cyclohexanon-ethylenacetal (78881-14-8) → 1,4-dioxaspiro[4.5]decan-6-one (4746-96-7)

Guidance literature:

With pyridine; chromium(VI) oxide; Celite; In dichloromethane; at 20 - 25 ℃; for 0.666667h;

DOI:10.1016/S0040-4020(01)85714-8

Reference yield: 53.0%

ethylene glycol (107-21-1) + cyclohexane-1,2-dione (765-87-7) → 1,4-dioxaspiro[4.5]decan-6-one (4746-96-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1021/jo00359a008

Reference yield:

ethylene glycol (107-21-1) + cyclohexane-1,2-dione (765-87-7) → cyclohexane-1,2-dione bis(ethyleneketal) (158-95-2) + 1,4-dioxaspiro[4.5]decan-6-one (4746-96-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 8h; Reflux;

DOI:10.3390/molecules17066808

upstream raw materials:

6-acetoxy-1,4-dioxa-spiro[4.5]dec-6-ene

cyclohexane-1,2-dione

2-Hydroxy-1-cyclohexanon-ethylenacetal

ethylene glycol

Downstream raw materials:

1,4-dioxa-spiro[4.5]decan-6-one semicarbazone

1,4-dioxa-spiro[4.5]decan-6-one-(2,4-dinitro-phenylhydrazone)

2-Hydroxy-1-cyclohexanon-ethylenacetal

6-pyridin-2-yl-1,4-dioxa-spiro[4.5]decan-6-ol