Spiro[3.3]heptane-2,6-dione

Base Information

• Chemical Name: Spiro[3.3]heptane-2,6-dione
• CAS No.: 20061-23-8
• Molecular Formula: C7H8O2
• Molecular Weight: 124.14
• DSSTox Substance ID: DTXSID501310479
• Nikkaji Number: J100.517K
• Mol file: 20061-23-8.mol

Synonyms:Spiro[3.3]heptane-2,6-dione;20061-23-8;SCHEMBL17452514;DTXSID501310479;MFCD24689331;AKOS026716650;SB22137;AS-79561;CS-0056901;P20397;EN300-7625351;F2147-3774

Chemical Property of Spiro[3.3]heptane-2,6-dione

Chemical Property:

• Boiling Point: 65 - 66 °C (0.1 mmHg)
• PSA: 34.14000
• LogP: 0.69860
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)CC12CC(=O)C2

Technology Process of Spiro[3.3]heptane-2,6-dione

There total 4 articles about Spiro[3.3]heptane-2,6-dione 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: 51.0%

2,6-di(benzhydrylidene)spiro[3.3]heptane (858801-99-7) → 2.6-Dioxo-spiro<3.3>heptan (20061-23-8)

Guidance literature:

With sodium periodate; ruthenium(III) chloride dihydrate; water; In tetrachloromethane; acetonitrile; at 20 ℃; for 1.58333h; Inert atmosphere; Reflux;

DOI:10.1021/jo901892d

Reference yield:

2,6-Bismethylen-spiro<3.3>heptan (20054-22-2) → 2.6-Dioxo-spiro<3.3>heptan (20061-23-8)

Guidance literature:

With pyridine; ozone; In dichloromethane;

Reference yield:

2,6-Bis--spiro<3.3>heptan (109100-15-4) → 2.6-Dioxo-spiro<3.3>heptan (20061-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) aq. H₂O₂, (ii) (heating)

2: O₃, Py

With pyridine; ozone;

upstream raw materials:

2,6-Bismethylen-spiro<3.3>heptan

2,6-Bis--spiro<3.3>heptan

2,6-Bis-dimethylaminomethyl-spiro<3.3>heptan-N,N'-dioxid

2,6-di(benzhydrylidene)spiro[3.3]heptane

Downstream raw materials:

6-Hydroxy-6-ethoxy-spiro<3.3>heptanon-(2)-2.4-dinitro-phenylhydrazon

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