Spiro[4.5]decane-7,9-dione

Base Information

• Chemical Name: Spiro[4.5]decane-7,9-dione
• CAS No.: 82683-51-0
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID60406605
• Wikidata: Q82211658
• Mol file: 82683-51-0.mol

Synonyms:Spiro[4.5]decane-7,9-dione;82683-51-0;SCHEMBL664740;DTXSID60406605;OSKDRFHEYJSVBB-UHFFFAOYSA-N;HMS1715A04;MFCD03844397;AKOS006242100;DS-8180;SB38895;WAY-634931;CS-0155311;FT-0748484;EN300-257199;A915560;Z85917494

Chemical Property of Spiro[4.5]decane-7,9-dione

Chemical Property:

• Vapor Pressure: 0.00048mmHg at 25°C
• Boiling Point: 314oC at 760 mmHg
• Flash Point: 117.5oC
• PSA: 34.14000
• Density: 1.1g/cm3
• LogP: 1.86890
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

Spiro[4.5]decane-7,9-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)CC(=O)CC(=O)C2

Technology Process of Spiro[4.5]decane-7,9-dione

There total 9 articles about Spiro[4.5]decane-7,9-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: 78.0%

1-cyclopentylidenepropan-2-one (933-02-8) + diethyl malonate (105-53-3) → spiro[4.5]decane-7,9-dione (82683-51-0)

Guidance literature:

1-cyclopentylidenepropan-2-one; diethyl malonate; In methanol; for 2h; Heating;

With barium dihydroxide; In methanol; water; for 24h; Heating;

DOI:10.1002/1522-2675(20010711)84:7<2071::AID-HLCA2071>3.0.CO;2-D

Reference yield:

1-(2-Methylprop-2-enyl)cyclopentan-1-ol (67570-15-4) → spiro[4.5]decane-7,9-dione (82683-51-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: O₃/O₂ / methanol / -78 - 0 °C

1.2: 70 percent / thiourea / methanol / 3 h

2.1: 72 percent / I₂ / toluene / Heating

3.1: methanol / 2 h / Heating

3.2: 78 percent / Ba(OH)2 / methanol; H₂O / 24 h / Heating

With oxygen; ozone; iodine; In methanol; toluene;

DOI:10.1002/1522-2675(20010711)84:7<2071::AID-HLCA2071>3.0.CO;2-D

Reference yield:

1-(1-Hydroxycyclopentyl)propan-2-on (38134-31-5) → spiro[4.5]decane-7,9-dione (82683-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 72 percent / I₂ / toluene / Heating

2.1: methanol / 2 h / Heating

2.2: 78 percent / Ba(OH)2 / methanol; H₂O / 24 h / Heating

iodine; In methanol; toluene;

DOI:10.1002/1522-2675(20010711)84:7<2071::AID-HLCA2071>3.0.CO;2-D

upstream raw materials:

sodium ethanolate

1-cyclopentylidenepropan-2-one

diethyl malonate

1-(1-Hydroxycyclopentyl)propan-2-on

Downstream raw materials:

1,1-cyclopentanediacetic acid

9-(benzhydrylamino)-spiro[4.5]dec-8-en-7-one